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Synthesis,Crystal Structure and Properties of a Zinc(Ⅱ) Complex Based on 5-(1H-Tetrazol-5-yl)isophthalic Acid Ligand 被引量:3
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作者 张兴晶 王璐瑶 +3 位作者 尉兵 李梦 乔宇 车广波 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第8期1213-1221,共9页
A novel polymeric zinc(II) complex {[Zn2(TIA)(H2O)3]·(NO3)}n(1, H3TIA = 5-(1H-tetrazol-5-yl)isophthalic acid) has been synthesized in mixed solvents under solvothermal conditions and characterized by ... A novel polymeric zinc(II) complex {[Zn2(TIA)(H2O)3]·(NO3)}n(1, H3TIA = 5-(1H-tetrazol-5-yl)isophthalic acid) has been synthesized in mixed solvents under solvothermal conditions and characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. Complex 1 crystallizes in orthorhombic, space group Cmcm with a = 10.4210(6), b =23.3526(14), c = 6.9214(4)A, V = 1684.37(17)A^3, Z = 4, C9H4N5O(10)Zn2, Mr = 472.91, Dc = 1.865g/cm^3, F(000) = 932, λ(MoK α) = 2.909 mm^-1, R = 0.0423 and wR = 0.1287. The complex has good thermal stability and excellent photoluminescent property. 展开更多
关键词 zinc(Ⅱ) complex crystal structure 5-(1h-tetrazol-5-yl)isophthalic acid photoluminescence
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Synthesis, Crystal Structure and Properties of a Chiral 3D Supramolecular Coordination Polymer [Co(HL)·(DMF)]_n from 5-(Imidazol-1-ylmethyl)isophthalic Acid 被引量:1
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作者 李付安 徐伏 +1 位作者 杨维春 李松田 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第9期1438-1444,共7页
A chiral supramolecular coordination polymer, [Co(HL)·(DMF)]n(1), with helical chains from a flexible ligand 5-(imidazol-1-ylmethyl)isophthalic acid(H2L) has been obtained under hydrothermal conditions ... A chiral supramolecular coordination polymer, [Co(HL)·(DMF)]n(1), with helical chains from a flexible ligand 5-(imidazol-1-ylmethyl)isophthalic acid(H2L) has been obtained under hydrothermal conditions and characterized by elemental analysis, powder X-ray diffraction(PXRD), IR, Uv/vis spectra, thermal gravimetric analyses(TGA) and also by single-crystal X-ray diffraction. It crystallizes in hexagonal, space group P6522 with a = 8.8109(3), b = 8.8109(3), c = 71.771(3) , γ = 120°, V = 4825.3(3) -3, Z = 6, Mr = 695.55, Dc = 1.436 g/cm-3, Rint = 0.0684, F(000) = 2166, the final R = 0.0923 and w R = 0.2697 for 3056 observed reflections(I 2σ(I)). The title coordination polymer 1 shows a chiral layered structure based on right-handed helix chains. Such layers are associated together through hydrogen-bonding interactions to form a 3D supramolecular framework. 展开更多
关键词 COBALT 5-(imidazol-1-ylmethyl)isophthalic acid PXRD chiral coordination polymer
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A Zn(Ⅱ) Coordination Polymer Based on a Flexible Polycarboxylate Ligand 5-(4-Hydroxypyridinium-1-ylmethyl)-isophthalic Acid: Synthesis, Structure, and Property 被引量:1
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作者 李付安 杨维春 李青彬 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第4期645-652,共8页
A Zn(Ⅱ) supramolecular coordination polymer, {[Zn2(L)2(m-bix)(H20)]6H2O}n(1), with an interesting 1D→2D polythreading array from a flexible and angular organic aromaticpolycarboxylate ligand 5-(4-hydroxyp... A Zn(Ⅱ) supramolecular coordination polymer, {[Zn2(L)2(m-bix)(H20)]6H2O}n(1), with an interesting 1D→2D polythreading array from a flexible and angular organic aromaticpolycarboxylate ligand 5-(4-hydroxypyridinium-l-ylmethyl)isophthalic acid (H2L), and N-donorligand 1,3-bis(imidazol-l-ylmethyl)benzene (m-bix), has been obtained under hydrothermalconditions and characterized by elemental analysis, powder X-ray diffraction (PXRD), IR, thermalgravimetric analyses (TGA) and single-crystal X-ray diffraction. In 1, the Zn(Ⅱ) center has twocoordination geometries. One exhibits a trigonal bipyramidal coordination sphere, and the other isa tetrahedral geometry; L2- has two different coordination modes, with one connecting three Zn(Ⅱ)ions through two monodentate carboxylate groups and the monodentate hydroxyl group, and theother bridging two Zn(Ⅱ) ions through two carboxylate groups. The L2- anions connect the Zn(Ⅱ)centers forming an infinite 1D tubular structure. These 1D tubes are interconnected by the m-bixspacers to form a 2D framework. Such 2D layers are further assembled into a 3D supramolecularnetwork via hydrogen bonds. Meanwhile, the luminescent property of 1 has also been investigatedin detail. 展开更多
关键词 5-(4-hydroxypyridinium-1-ylmethyl)isophthalic acid 1 3-bis(imidazol-1-ylmethyl)benzene ZINC PXRD 1D→2D polythreading array
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Hydrothermal Synthesis,Crystal Structure and Properties of a Novel 3D Metal-organic Coordination Polymer with Helical Chains Based on 5-(Imidazol-1-ylmethyl)isophthalic Acid
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作者 李付安 杨维春 +1 位作者 苗许 李松田 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第3期421-427,共7页
A novel 3D metal-organic coordination polymer with helical chains based on a flexible 5-(imidazol-1-ylmethyl)isophthalic acid(H_2L) as a main ligand and 1,2-bis(4-pyridyl)ethane(bpa) as a N-containing ancillar... A novel 3D metal-organic coordination polymer with helical chains based on a flexible 5-(imidazol-1-ylmethyl)isophthalic acid(H_2L) as a main ligand and 1,2-bis(4-pyridyl)ethane(bpa) as a N-containing ancillary ligand,[Cd L(bpa)_(0.5)]_n(1),has been obtained under hydrothermal conditions and characterized by elemental analysis,powder X-ray diffraction(PXRD),IR,thermal gravimetric analyses(TGA) and single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P2_1/c with a = 10.984(2),b = 10.1829(12),c = 17.782(3) A,β = 123.156(11)o,V = 1665.1(5) A^3,Z = 4,Mr = 448.72,Dc = 1.790 g/cm^3,Rint = 0.0871,F(000) = 892,the final R = 0.0687 and w R = 0.1294 for 2920 observed reflections(I 〉 2σ(I)).In complex 1,the L^2- anions connect Cd(Ⅱ) ions to form two-dimensional metal-organic layers(Cd_2L_2)n,in which the 1D helical chains(Cd-L)_n are alternately arranged in a right-and left-handed sequence.These layers are further linked to build a 3D network by the bpa ligand.In addtion,photoluminescent properties for 1 are also investigated. 展开更多
关键词 cadmium 5-(imidazol-1-ylmethyl)isophthalic acid PXRD luminescent properties
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Syntheses and Characterizations of Cd(Ⅱ) and Pr(Ⅲ) Complexes Based on 5-(Tetrazol-5-yl) Isophthalic Acid 被引量:3
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作者 郝雪娜 郑宝花 胡拖平 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第8期1186-1194,共9页
Hydrothermal reactions of 5-(tetrazol-5-yl) isophthalic acid with cadmium nitrate/praseodymium nitrate led to two complexes of [Cd3(TZI)2(H2O)(11)]n(1) and [Pr(TZI)(H2O)5]n(2). Their structures and pro... Hydrothermal reactions of 5-(tetrazol-5-yl) isophthalic acid with cadmium nitrate/praseodymium nitrate led to two complexes of [Cd3(TZI)2(H2O)(11)]n(1) and [Pr(TZI)(H2O)5]n(2). Their structures and properties were determined by X-ray diffraction, IR spectroscopy, fluorescence spectrum, thermal gravimetric analyses and elemental analysis. Complex 1 belongs to monoclinic system, I2/c space group, with a = 12.8688(3), b = 18.0925(3), c = 14.5190(3)A, β = 116.054(3)°, V =3036.92(13) A^3, Z = 4; complex 2 crystallizes in triclinic, space group P 1, with a = 7.9690(5), b =9.7665(8), c = 10.4353(9) A, α = 116.709(9), β = 107.461(6), γ = 95.671(6)°, V = 665.54(9)A^3 and Z =2. Complex 1 is a 3D planar structure. Complex 2 is a one-dimensional double chain configuration and extends into a 3D network by hydrogen bonds and π-π interactions. 展开更多
关键词 metal-organic complexes hydrothermal synthesis 5-(tetrazol-5-yl) isophthalic acid ligand
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Syntheses, Structures and Properties of Three Novel La(Ⅲ)/Co(Ⅱ) Coordination Polymers Based on 5-(3-(Tetrazo-5-yl)phenyl)isophthalic Acid
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作者 ZHAI Li-Jun GAO Ling-Ling +3 位作者 ZHANG Jie JIA Jiao-Jiao NIU Yu-Lan HU Tuo-Ping 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第7期1207-1215,共9页
Three novel complexes, namely {[La(tapipa)(4,4′-bibp)·(H2O)2]·H2O}n(1),{[La-(tapipa)(H2O)4(OH)]·3 H2O}n(2),[Co(tapipa)(1,4-bbib)]n(3)(tapipa = 5-(3-(tetrazo-5-yl)phenyl)isophthalic acid, 4,4′-bibp = ... Three novel complexes, namely {[La(tapipa)(4,4′-bibp)·(H2O)2]·H2O}n(1),{[La-(tapipa)(H2O)4(OH)]·3 H2O}n(2),[Co(tapipa)(1,4-bbib)]n(3)(tapipa = 5-(3-(tetrazo-5-yl)phenyl)isophthalic acid, 4,4′-bibp = 4,4′-bis(imidazolyl)biphenyl, and 1,4-bbib = 1,4-bis(benzimidazo-1-ly)benzene) have been synthesized under solvothermal conditions and characterized by PXRD, IR,TGA, and so on. Complex 1 presents a 2 D layer structure, which is finally packed into a 3 D supramolecular structure by means of hydrogen bonds;complexes 2 and 3 exhibit 1 D chains and 2 D wavy-type structures, respectively, which are expanded into 3 D supramolecular structures through hydrogen bonds and π-π interactions. Furthermore, the luminescence properties of complex 1 and the variable-temperature magnetic susceptibilities of 3 were investigated. Complex 1 has highly selective sensing for Fe^3+ and Cr2O7^2- ions. 展开更多
关键词 5-(3-(tetrazo-5-yl)phenyl)isophthalic ACID LUMINESCENT PROPERTIES magnetic PROPERTIES
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Synthesis, Crystal Structure and Antitumor Activity of (E)-4-tert-Butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine 被引量:5
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作者 胡艾希 覃智 +1 位作者 叶姣 夏曙 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第11期1680-1683,共4页
The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobe... The title compound (E)-4-tert-butyl-N-(2,4-dichlorobenzylidene)-5-(1,2,4-triazol-1-yl)-thiazol-2-amine was synthesized by the reaction of 4-tert-butyl-5-(1,2,4-triazol-1-yl)-thiazol-2-amine with 2,4-dichlorobenzaldehyde, and its crystal structure was determined by singlecrystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 7.9748(4), b = 10.1803(5), c = 11.4603(6), α = 102.882(1), β = 100.253(1), γ = 104.457(1)°, V = 850.95(7)3, Z = 2, F(000) = 392, C16H15Cl2N5S, Mr = 380.29, Dc = 1.484 g/cm3, S = 1.095, μ = 0.512 mm-1, the final R = 0.0301 and wR = 0.0965 for 3334 observed reflections (I 〉 2σ(I)). The preliminary antitumor activity shows that for the title compound the IC50 of Hela is 0.175 μmol/mL and that of Bel7402 is 0.156 μmol/mL. 展开更多
关键词 (E)-4-tert-butyl-N-(2 4-dichorobenzylidene)-5-(1 2 4-triazl-1-yl)-thiazol-2-amine crystal structure synthesis antitumor activity
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Synthesis and Crystal Structure of Trans-4-[(5-(2,4-Dichlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyleneamino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 被引量:4
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作者 孙凤梅 田孟魁 +1 位作者 杨靖华 连照勋 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第7期789-792,共4页
The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl- 1-phenyl-1H-pyrazol-4-yl)methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its... The title compound trans-4-[(5-(2,4-dichlorophenoxy)-3-methyl- 1-phenyl-1H-pyrazol-4-yl)methyleneamino]- 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one 3 (C28H23Cl2N5O2, Mr = 532.41) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1- with a = 8.9438(4), b = 11.6065(5), c = 14.2215(6)A, α = 112.566(1), β = 92.324(2), γ = 102.91(1)°, V= 1315.65(10) A^3, Z = 2, Dc = 1.344 g/cm^3,μ(MoKa) = 0.282 mm^-1, λ = 0.71073 A, F(000) = 552, the final R = 0.0587 and wR = 0.1578 for 5071 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the product is a thermodynamically stable trans isomer. Intra- and intermolecular C( 12)-H(12)…O(1) and C(28)-H(28)...O(1)# 1 hydrogen bonds were observed in the title compound. 展开更多
关键词 trans-4-[ 5-(2 4-dichlorophenoxy)-3-methyl- 1-phenyl- 1H-pyrazol-4-yl)methylene amino]-1 5-dimethyl-2-phenyl-1 2-dihydropyrazol-3-one synthesis crystal structure
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Synthesis and Crystal Structure of Ethyl 3-(4-Chlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate 被引量:2
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作者 胡扬根 徐靖 丁明武 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第6期689-692,共4页
The crystal structure of the title compound ethyl 3-(4-chlorophenyl)-3,4-dihydro-6- methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate (C20H20ClN3O4, Mr= 401.84) has been prepared and determined... The crystal structure of the title compound ethyl 3-(4-chlorophenyl)-3,4-dihydro-6- methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate (C20H20ClN3O4, Mr= 401.84) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 20.6215(9), b = 8.5311(4), c = 21.6886(9) A^°, β = 91.607(1)°, V = 3814.0(3)A^°^3, Z = 8, Dc = 1.400 g/cm^3, F(000) = 1680, μ = 0.233 mm^-1, R = 0.0718 and wR = 0.1545 for 6717 observed reflections with I 〉 2σ(I). X-ray diffraction analysis reveals two crystallographically independent molecules in the asymmetric unit. 展开更多
关键词 crystal structure ethyl 3-(4-ehlorophenyl)-3 4-dihydro-6-methyl-4-oxo-2- (pyrrolidin-1-yl)furo[2 3-d]pyrimidine-5-earboxylate aza-Wittig reaction synthesis
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Synthesis, Crystal Structure and Antitumor Activity of 4-tert-Butyl-N-(2-fluorophenyl)-5- (1H-1,2,4-triazol-1-yl)-thiazol-2-amine 被引量:1
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作者 李婉 叶姣 +2 位作者 沈芳 彭俊梅 胡艾希 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第12期1782-1786,共5页
The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-... The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl- 1 - (1 H- 1,2,4-triazol- 1 -yl)butan-2-one with 1 -(2-fluorophenyl)thiourea, and its crystal struc- ture was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a = 15.2568(6), b = 12.1533(5), c = 16.7307(7) A, Z = 8, V = 3102.2(2) A3, Mr = 317.39, Dc = 1.359 g/cm3, S = 1.05, μ = 0.223 mm-1, F(000) = 1328, the final R = 0.034 and wR = 0.097 for 2590 observed reflections (I 〉 2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line. 展开更多
关键词 4-tert-butyl-N-(2-fluorophenyl)-5-(1H-1 2 4-triazol-1-yl)thiazol-2-amine SYNTHESIS crystal structure antitumor activity
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Synthesis, Crystal Structure and Antitumor Activity of 4-(tert-butyl)-5-(1H-1,2,4-triazol-1-yl)-N-(2-hydroxy-3,5-diiodinebenzyl)-thiazol-2-amine 被引量:1
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作者 叶姣 谢选青 +3 位作者 李康明 刘永超 孙利 胡艾希 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期344-348,共5页
The title compound, 4-(tert-butyl)-5-(1 H- 1,2,4-triazol- 1 -yl)-N-(2-hydroxy-3,5-diio- dinebenzyl)thiazol-2-amine, was synthesized via the reduction of 4-(tert-butyl)-5-(1H-l,2,4- triazol-l-yl)-N-benzyliden... The title compound, 4-(tert-butyl)-5-(1 H- 1,2,4-triazol- 1 -yl)-N-(2-hydroxy-3,5-diio- dinebenzyl)thiazol-2-amine, was synthesized via the reduction of 4-(tert-butyl)-5-(1H-l,2,4- triazol-l-yl)-N-benzylidene-thiazol-2-amine with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic system, space group P21/c with a = 7.91944(19), b = 10.5250(3), c = 24.4985(6) A, Z = 4, V = 2041.66(9) A3, Mr = 599.22, Dc = 1,949 Mg/m3, S = 1.120, p = 3.203 mm-1, F(000) = 1152, the final R = 0.0283 and wR = 0.0592 for 3490 observed reflections (I 〉 2σ(I)). X-ray analysis displays that the crystal water takes part in three intermolecular hydrogen bonds of O(2)-H(2A)…O(1), O(2)-H(2B)…N(I) and N(5)-H(5)…O(2), and an octatomic ring R^(8) is formed via intramolecular hydrogen bond of O(I)-H(IA)…N(4). Furthermore, the I…I contacts are involved in stabilizing the overall three-dimensional network structure. The preliminary biological test shows the title compound has good antitumor activity with the IC50 value of 26 μM against the Hela cell line. 展开更多
关键词 4-(tert-butyl)-5-(1H-1 2 4-triazol-1-yl)-N-(2-hydroxy-3-5-diiodinebenzyl)-thiazol-2-amine synthesis crystal structure antitumor activity
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Aromatic Multicarboxylate Ligands Tuned One-and Three-dimensional Zn(Ⅱ) Coordination Polymers Based on 3-(1H-pyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole
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作者 WANG Yu-Fang WANG Li-Ya 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第8期1329-1336,共8页
Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn0.5(H2L)(tp)0.5(H2O)]H2O}n(1) and {[Zn2(HL)(btc)(H2O)]H2O}n(2)(H2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H2tp = te... Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn0.5(H2L)(tp)0.5(H2O)]H2O}n(1) and {[Zn2(HL)(btc)(H2O)]H2O}n(2)(H2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H2tp = terephthalic acid;H3 btc = 1,3,5-benzenetricarboxylic) have been synthesized. Their structures were characterized by single-crystal X-ray diffraction analysis, elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional chain structure and is finally extended into a three-dimensional supramolecular architecture though hydrogen bonding interactions. Compound 2 shows a three-dimensional framework. Meanwhile, compounds 1 and 2 exhibit luminescent emission in the solid, and can be investigated as potential luminescent materials. 展开更多
关键词 coordination polymer 3-(1H-pyrazol-4-yl)-5-(pyridin-3-yl)-1 2 4-triazole AROMATIC multicarboxylate luminescence
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Synthesis, Crystal Structure and Antitumor Activity of (E)-1-(7-Methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5- yl)-3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol
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作者 李水师 李婉 +1 位作者 叶姣 胡艾希 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第7期1142-1146,共5页
The title compound, (E)-1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)- 3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol (3a), was synthesized by the Aldol con- densation reaction of 1-(7-methox... The title compound, (E)-1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)- 3-(2-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propenol (3a), was synthesized by the Aldol con- densation reaction of 1-(7-methoxy-2,2-dimethyl-2,3-dihydrobenzofuran-5-yl)-2-(1,2,4-triazol- 1-yl)ethanone with 2-methoxybenzaldehyde and then reduced with NaBH4, and its crystal structure was determined by single-crystal X-ray diffraction: monoclinic system, space group P21 with a = 6.2002(3), b = 12.8452(7), c = 13.2257(7) ?, Z = 2, V = 1031.23(9) ?3, Mr = 407.46, Dc = 1.312 Mg/m3, S = 1.054, μ = 0.091 mm-1, F(000) = 432, the final R = 0.0353 and wR = 0.0769 for 3161 observed reflections (I 〉 2σ(I)). X-ray analysis displays that the title compound adopts an E configuration for the C(7)=C(8) double bond and S configuration for the chirality center with the specific rotation of –63.75°. Furthermore, the stability of the crystal was maintained through the intermolecular hydrogen bond O(1)–H???N(3). The antitumor assay exhibits that the title compound 3a (E configuration) has a good antitumor activity against the Hela cell line with the IC50 value of 36.9 μM, which is better than that of 3b (Z configuration). 展开更多
关键词 (E)-1-(7-methoxy-2 2-dimethyl-2 3-dihydrobenzofuran-5-yl)-3-(2-methoxyphenyl)-2-(1H-1 2 4-triazol-1-yl)propenol synthesis crystal structure antitumor activity
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A Y(Ⅲ)-organic Coordination Polymer Constructed from 2-(Pyridine-4-yl)-1H-imidazole-4,5-dicarboxylate and Oxalate Ligands: Structure and Luminescent Property
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作者 郭向广 吴小园 +4 位作者 张其凯 杨文斌 林琅 余荣民 卢灿忠 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第1期57-62,共6页
A novel compound, {[Y(HPIDC)(OX)1/2(H2O)]·2H2O}n (1, H3PIDC = 2-(pyridin-4- yl)-1H-imidazole-4,5-dicarboxylic acid, H2OX = oxalic acid), has been synthesized under hydrothermal conditions and characteri... A novel compound, {[Y(HPIDC)(OX)1/2(H2O)]·2H2O}n (1, H3PIDC = 2-(pyridin-4- yl)-1H-imidazole-4,5-dicarboxylic acid, H2OX = oxalic acid), has been synthesized under hydrothermal conditions and characterized by thermal analysis (TGA), powder X-ray diffraction (PXRD), and single-crystal X-ray diffraction. Complex 1 crystallizes in monoclinic space group P21/c with a = 8.342(8), b = 14.61(1), c = 11.487(1), β = 90.78(9)°, V = 1400.4(2)3, Z = 4, C11H11N3O9Y, Mr = 418.14, Dc = 1.983 g/cm3, F(000) = 836, Rint = 0.0509, T = 293(2) K, μ = 4.240 mm-1, the final R = 0.0477 and wR = 0.1125 for 2770 observed reflections with I 2σ(I). Compound 1 exhibits a 3D framework and generates the 1D open channels filled with free water molecules. The structure of 1 can be rationalized as a diamondoid network when the atom yttrium is regarded as a 4-connected node linking four surrounding yttrium atoms. The luminescent property of compound 1 is also investigated. 展开更多
关键词 Y(Ⅲ) coordination polymer hydrothermal synthesis 2-(pyridin-4-yl)-1H-imidazole-4 5-dicarboxylic acid diamondiod network luminescence
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Synthesis and Crystal Structure of N-[(3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl]-3-(trifluoromethyl)phenylmethanimine
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作者 周辛波 谢云德 +2 位作者 钟武 王建柏 李松 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第8期1231-1235,共5页
The crystal structure of the title compound(C19H15F3N2O2,Mr = 360.33) was determined by single-crystal X-ray diffraction.The crystal belongs to triclinic,space group P1,with a = 6.5604(7),b = 13.9614(16),c = 18.... The crystal structure of the title compound(C19H15F3N2O2,Mr = 360.33) was determined by single-crystal X-ray diffraction.The crystal belongs to triclinic,space group P1,with a = 6.5604(7),b = 13.9614(16),c = 18.1790(18) ,α = 102.749(7),β = 97.542(6),γ = 94.355(4)°,V = 1600.5(3) 3,Z = 4,Dc = 1.495 g/cm3,λ(MoKα) = 0.71070,F(000) = 744,μ(MoKα) = 0.122 mm-1,R = 0.0434 and wR = 0.1051.A total of 7590 unique reflections were collected,of which 5429 with |F|2 ≥ 2σ|F|2 were observed.The two cyclohexene rings in the molecule adopt boat-boat conformations with the deviations of ring atoms C(9) and C10 from the C(5)/C(6)/C(7)/C(8) plane(Ⅰ) by 1.1204(0.0023) and 1.1132(0.0023) ,respectively,whereas from the C(2)/C(3)/C(5)/C(8) plane(Ⅱ) by 1.1627(0.0022) and 1.1818(0.0021) ,respectively.In the cyclopropane and lactam rings,atoms C(11) and N(1) point towards the double bond of C(9)-C(10) and the dihedral angle between the ring plane(Ⅲ) containing C(1),C(2),C(3) and C(4) and plane(IV) consisting of C(6),C(7) and C(11) is 55.76(0.07)°.The dihedral angles between planes Ⅳ and Ⅰ and Ⅱ and Ⅲare 63.58(0.07)° and 58.10(0.06)°,respectively.The dihedral angle between the benzene ring C(13)~ C(18) and plane Ⅳ is 42.41(0.06)°. 展开更多
关键词 N-[(3aR 4R 4aR 5aS 6S 6aS)-1 3-dioxooctahydro-4 6-ethenocyclopropa[f]isoin-dol-2(1H)-yl]-3-(trifluoromethyl)phenylmethanimine crystal structure synthesis
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Synthesis, Characterization, Spectroscopic Properties of 2-(4-Dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole and its Interaction with Calf Thymus DNA
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作者 LingTianTANG YiWANG XinQiLIU ShaoWenHU TaiWeiCHU XiangYunWANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2005年第3期345-348,共4页
Dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole(1) has been synthesized and characterized by H-NMR, MS and elemental analysis. UV-Vis spectra of the 1 aqueous solutions at different pH values reveal ... Dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole(1) has been synthesized and characterized by H-NMR, MS and elemental analysis. UV-Vis spectra of the 1 aqueous solutions at different pH values reveal that compound 1 can combine three protons. Its three protonation constants are determined by spectrophotometry and calculated by non-linear least squares. The results of steady-state fluorescence measurements indicate that a special interaction occurs between compound 1 and calf thymus DNA, of which the binding constant, Kb, is (2.30 ± 0.10)×l04 L/mol. Compound 1 in the concentration range of 10-8 to 1.2×10-6 mol/L could be used for quantitative determination of DNA. 展开更多
关键词 2-(4-Dimethylaminophenyl)-5-fluoro-6-(morpholin-4-yl)-1H-benzimidazole calf thymus DNA.
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Combining Experimental and Quantum Chemical Study of 2-(5-Nitro-1,3-Dihydro Benzimidazol-2-Ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-yl) Propanenitrile as Copper Corrosion Inhibitor in Nitric Acid Solution
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作者 Mougo André Tigori Aboudramane Koné +3 位作者 Bamba Souleymane Doumadé Zon Drissa Sissouma Paulin Marius Niamien 《Open Journal of Physical Chemistry》 CAS 2022年第4期47-70,共24页
Due to acidic solutions aggressiveness, corrosion inhibitors use is considered to be one the most practical methods to delay metals dissolution in the said solutions. In this study benzimidazolyl derivative namely 2-c... Due to acidic solutions aggressiveness, corrosion inhibitors use is considered to be one the most practical methods to delay metals dissolution in the said solutions. In this study benzimidazolyl derivative namely 2-cyanochalcones 2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(2-oxo-2H-chromen-3-yl) propanenitrile which was synthesized was then applied as a corrosion inhibitor for copper in 1 M HNO<sub>3</sub> solution. The inhibition action of this molecule was evaluated by gravimetric and density functional theory (DFT) methods. It was found experimentally that this compound has a better inhibition performance and its adsorption on copper surface follows Langmuir adsorption isotherm. This adsorption evolves with temperature and inhibitor concentration, it is endothermic and occurs spontaneously with an increase in disorder. Corrosion kinetic parameters analysis supported by Adejo-Ekwenchi model revealed the existence of both physisorption and chemisorption. DFT calculations related that compound adsorption on copper surface is due to its electron donating and accepting capacity. The reactive regions specifying the electrophilic and nucleophilic attack sites were analyzed using Fukui and dual descriptor functions. Experimental results obtained were compared with the theoretical findings. 展开更多
关键词 2-Cyanochalcones2-(5-Nitro-1 3-Dihydrobenzimidazol-2-ylidene)-3-Oxo-3-(2-Oxo-2H-Chromen-3-yl) Propanenitrile Copper HNO3 Solution Gravimetric Density Functional Theory
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A Cu(Ⅱ) Coordination Polymer with 5-Tert-butyl Isophthalate Linker:Synthesis,Crystal Structure,and Magnetic Properties 被引量:1
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作者 常新红 韩民乐 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第12期1895-1900,共6页
A new Cu(Ⅱ) metal-organic coordination polymer, {[Cu2(tbip)2(bie)2]·H2O}n (1, H2tbip = 5-tert-butyl isophthalic acid, bie = 1,2-bis(imidazol-1 '-yl)ethane), was assembled under hydrothermal conditions... A new Cu(Ⅱ) metal-organic coordination polymer, {[Cu2(tbip)2(bie)2]·H2O}n (1, H2tbip = 5-tert-butyl isophthalic acid, bie = 1,2-bis(imidazol-1 '-yl)ethane), was assembled under hydrothermal conditions by the reactions of Cu(Ⅱ) acetate with H2tbip and bie. Complex 1 was characterized by elemental analysis, IR spectroscopy and X-ray single-crystal diffraction. Complex 1 crystallizes in triclinic, space group P1, with a = 9.9145(10), b = 13.2211(13), c = 15.4363(15) nm, a = 87.0250(10), β = 88.3220(10), γ = 83.8240(10)°, V= 2008.4(3) nm3, Z = 2, Dc = 1.505 Mg/m3, F(000) = 944, g = 1.125 mm^-1, S = 1.030, the final R = 0.0336 and wR = 0.0790. The results reveal that complex 1 is a two-dimensional layered structure. In addition, magnetic properties of I were also investigated. 展开更多
关键词 5-tert-butyl isophthalic acid 1 2-bis(imidazol-1-yl)ethane Cu(Ⅱ) complex crystal structure
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Syntheses, Structures, and Properties of Three Coordination Polymers: [Cd_2(bpp)_(1.5)(Hbpp)(phen)_2]_n, [Mn_3(Htptc)_2(phen)_2(H_2O)_2]_n, and {[Cu(btc)_(0.5)(1,4-bib)]·2H_2O}_n
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作者 丁元帅 范黎明 +2 位作者 逄越 张修堂 田来进 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第4期569-578,共10页
Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers: [Cd2(bpp)1.5(Hbpp)(phen)2]n (1), [... Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers: [Cd2(bpp)1.5(Hbpp)(phen)2]n (1), [Mn3(Htptc)2(phen)2(H2O)2]n (2), and {[Cu(btc)0.5(1,4- bib)]·2H2O}n(3) (H2bpp = 2,6-bis(4'-carboxyphenyl)-4-phenylpyridine, H4tptc = terphenyl-2,5,2',5'-tetracar- boxylic acid, H4btc =biphenyl-2,2',4,4'-tetracarboxylic acid, phen =1,10-phenanthroline, and 1,4-bib = 1,4-bis(1H-imidazol-1-yl)benzene). Their structures have been determined by single- crystal X-ray diffraction analyses, elemental analyses, IR spectra, and powder X-ray diffraction (PXRD) analyses. In compound 1, the CdII cations are linked by bpp2- to form one ladder structure, based on which a 3D network is constructed with the help of non-covalent interactions. The topology of 2 is a 3D (3,4,5)-connected framework with the Point Schl?fli symbol of (42.6)2(43.62.8)(45.64.8)2. Compound 3 shows an unprecedented 3D (4,4)-connected framework with the Point Schl?fli symbol of (64.82)2(65.8). Moreover, the luminescent property of 1 has been investigated. 展开更多
关键词 2 6-bis(4'-carboxyphenyl)-4-phenylpyridine biphenyl-2 2' 4 4'-tetracarboxylic acid terphenyl-2 5 2' 5-tetracarboxylic acid 1 10-phenanthroline 1 4-bis(imidazol-1-yl)butane
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Synthesis of 5-[(2-hydroxynaphthalen-1-yl)diazenyl]isophthalic acid and its application to electrocatalytic oxidation and determination of adrenaline,paracetamol,and tryptophan 被引量:2
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作者 Masoumeh Taei Foroozan Hasanpour +2 位作者 Mohammad Dinari Nasrin Sohrabi Mohammad Sadegh Jamshidi 《Chinese Chemical Letters》 SCIE CAS CSCD 2017年第2期240-247,共8页
In this study,Au nanoparticles/poly 5-[(2-hydroxynaphthalen-l-yl)diazenyl]isophthalic acid film modified glassy carbon electrode(AuNPs/poly(NDI)/GCE) has shown excellent electrocatalytic activity toward the oxid... In this study,Au nanoparticles/poly 5-[(2-hydroxynaphthalen-l-yl)diazenyl]isophthalic acid film modified glassy carbon electrode(AuNPs/poly(NDI)/GCE) has shown excellent electrocatalytic activity toward the oxidation of adrenaline(ADR),paracetamol(PAC),and tryptophan(Trp).The bare glassy carbon electrode(GCE) fails to separate the oxidation peak potentials of these molecules,while the poly(NDI) film modified electrode can resolve them.Electrochemical impedance spectroscopy(EIS)indicates that the charge transfer resistance of the bare electrode decreases as 5-[(2-hydroxynaphthalen-l-yl)diazenyl]isophthalic acid is electropolymerized on the bare electrode.Furthermore,EIS exhibits enhancement of electron transfer kinetics between analytes and the electrode after electrodeposition of Au nanoparticles.Differential pulse voltammetry results show that the electrocatalytic current increases linearly in the ranges of 0.01-680.0 μmol L^-1 for ADR,0.05-498.0 μmol L^-1 for PAC,and 3.0-632.0 μmol L^-1 for Trp;with detection limits(S/N = 3) of 0.009 μmol L^-1,0.005 μmol L^-1,and 0.09 μmol L^-1 for ADR,PAC,and Trp,respectively.The proposed method has been successfully applied for simultaneous determination of ADR,PAC,and Trp in biological samples. 展开更多
关键词 Adrenaline Paracetamol Tryptophan Au nanoparticles 5-[(2-Hydroxynaphthalen-1-yl)diazenyl]isophthalic acid Glassy carbon electrode
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