A new wave-like infinite chain coordination polymer [Cu3（CN）3（PPh3）4]n（1,PPh3=triphenylphosphine） has been synthesized by solution reaction and characterized by X-ray single-crystal structure diffraction analysi...A new wave-like infinite chain coordination polymer [Cu3（CN）3（PPh3）4]n（1,PPh3=triphenylphosphine） has been synthesized by solution reaction and characterized by X-ray single-crystal structure diffraction analysis.The complex crystallizes in space group P1 with a=13.343（6）,b=13.429（7）,c=20.694（10）A,α=103.163（4）,β=96.704（5）,γ=101.981（6）o,V=3479（3）A^3,Z=2,C75H60Cu3N3P4,Mr=1317.76,Dc=1.258 g/cm^3,F（000）=1356,μ=1.043 mm^-1,the final R=0.0680 and wR=0.1305 for 9232 observed reflections with I〉2σ（I）.The infinite chain is linked by C-H…π H bonding interactions to form a 2-D supramolecular network.Luminescent study reveals that the complex has green-light emission.展开更多
The title complex [Cu（L1）（L2）（H2O）]·H2O（1,HL1 = N-（imino（pyridin-2-yl）me-thyl）picolinamidine）,HL2 = salicylic acid） has been obtained by volatilization method with L1 prepared from 2,4,6-tripyridyl-1...The title complex [Cu（L1）（L2）（H2O）]·H2O（1,HL1 = N-（imino（pyridin-2-yl）me-thyl）picolinamidine）,HL2 = salicylic acid） has been obtained by volatilization method with L1 prepared from 2,4,6-tripyridyl-1,3,5-triazine in situ.1 was fully characterized by single-crystal X-ray diffraction,elemental analysis and FT-IR.This complex exhibits a three-dimensional frame-work constructed through hydrogen bonding and C-H···π stacking interactions.The cyclic voltametric behavior of complex 1 was also investigated.1 belongs to the monoclinic system,space group P21/c with a = 15.112（5）,b = 7.115（2）,c = 19.899（6） ,β = 112.32°,V = 1979.4（11） 3,Mr = 460.94,Dc = 1.540 g/cm3,F（000） = 948,μ = 1.146 mm-1,Z = 4,the final R = 0.0612 and wR = 0.1813 for 2510 observed reflections with I 2σ（I）.展开更多
A novel {[bis（pyridine-κN）bis（3,5-dinitrosalicylato κ-O,O＇）Zn（Ⅱ）][bis（pyridine-κN）Zn（Ⅱ）]}（C_（34）H_（24）N_8O_（14）Zn_2） was synthesized by a self-assemble method at room temperature. The molecular...A novel {[bis（pyridine-κN）bis（3,5-dinitrosalicylato κ-O,O＇）Zn（Ⅱ）][bis（pyridine-κN）Zn（Ⅱ）]}（C_（34）H_（24）N_8O_（14）Zn_2） was synthesized by a self-assemble method at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P2_1/n with a = 12.2156, b = 13.5696, c = 22.5602 A, β = 90.061o, Z = 4 and V = 3739.6（3）A^3. The new 1D binuclear coordination polymer {[bis（py-κN）bis（3,5-dinitrosal κ-O,O′） Zn（Ⅱ）][bis（py-κN）Zn（Ⅱ）]} resulted from two different types of moieties. The polymer [bis（py-κN）bis（3,5-dinitrosal κ-O,O′）Zn（Ⅱ）] unit is connected with [bis（py-κN） Zn（Ⅱ）] by zigzag topology. One zinc（Ⅱ） cation has a six-fold coordination environment, in which the metal atom is connected with four oxygen atoms of two 3,5-dinitrosalicylic acids to form equatorial bonds and two nitrogen atoms of pyridine to generate the axial bonds. Other four-fold nucleus contain two Zn-O bonds from different 3,5-dinitrosalicylic acids and two bonds with the Natom of pyridine. Antimicrobial assay results indicated that the compound showed moderate activities against different bacterial and fungal strains.展开更多
The title compounds,C9H13ClN6O2S 1 and C15H17ClN6O2S 2,were synthesized and structurally characterized by elemental analysis,IR,1H NMR spectra and single-crystal X-ray diffraction.Compound 1 is in the monoclinic syste...The title compounds,C9H13ClN6O2S 1 and C15H17ClN6O2S 2,were synthesized and structurally characterized by elemental analysis,IR,1H NMR spectra and single-crystal X-ray diffraction.Compound 1 is in the monoclinic system,space group P21/c with a=13.7711（5）,b=10.3883（4）,c=9.7623（2）,V=1344.47（8）3,Dc=1.506 g/cm3,C9H13ClN6O2S,Mr=304.76,F（000）=632,μ=0.448 mm-1,Z=4,S=1.084,R=0.0497 and wR=0.1328 for 2640 unique reflections（Rint=0.0787） with 2089 observed ones（I2σ（I））.Compound 2 belongs to the monoclinic system,space group P21/n with a=8.3828（5）,b=14.5285（7）,c=14.2456（4）,V=1729.74（14）3,Dc=1.462 g/cm3,C15H17ClN6O2S,Mr=380.86,F（000）=792,μ=0.364 mm-1,Z=4,S=1.057,R=0.0598 and wR=0.1582 for 3384 unique reflections（Rint=0.0469） with 2833 observed ones（I2σ（I））.Compounds 1 and 2 are homologues and stabilized by intermolecular and intramolecular hydrogen bonds.Moreover,compound 2 containing C（2）–H（2）…π（thiazole） interaction is more stable than 1.展开更多
A new Schiff base, N-phenyl-(2S)-hydroxy-3-[(2-hydroxybenzylidene)amino]pro- pionamide, has been synthesized by using (S)-isoserine as the starting material. Its crystal struc- ture with solvent benzene was determined...A new Schiff base, N-phenyl-(2S)-hydroxy-3-[(2-hydroxybenzylidene)amino]pro- pionamide, has been synthesized by using (S)-isoserine as the starting material. Its crystal struc- ture with solvent benzene was determined by X-ray single-crystal diffraction, elemental analysis and 1H NMR. The crystal belongs to the monoclinic system with space group P21, a = 5.673(3), b = 15.486(8), c = 18.753(9) ?, β = 90.086(7)o, C16H16O3N2?1/2C6H6, Mr = 323.36, V = 1647.7(14) ?3, Z = 4, Dc = 1.304 g/cm3, μ = 0.089 cm-1, F(000) = 684.00, the final R = 0.0624 and wR = 0.1320 for 2613 observed reflections (I > 2σ(I)). The asymmetric unit of the crystal has two crystallographically different molecules with the same configuration and one solvent benzene molecule, and they are not planar. In the crystal, molecules are stacked through H-bonds along [100] and the stacks are laterally interacted through H-bonds and extended along [010]. In the third direction [101], molecules interact through C–H…π interaction, which is one of the major factors stabilizing the crystal structure.展开更多
The title compound 1-（3-（（benzo[d][1,3]dioxol-5-yloxy）methyl）phenethyl）-4- phenylpiperidin-4-ol （4, C27H29NO4, Mr = 431.51） was synthesized by a four-step reaction and characterized by 1H NMR, 13C NMR, element...The title compound 1-（3-（（benzo[d][1,3]dioxol-5-yloxy）methyl）phenethyl）-4- phenylpiperidin-4-ol （4, C27H29NO4, Mr = 431.51） was synthesized by a four-step reaction and characterized by 1H NMR, 13C NMR, elemental analysis and single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a = 5.8033（12）, b = 10.705（2）, c = 18.393（4）A, a = 83A4（3）, β = 82.71（3）, γ = 88.88 （3）°, V= 1126.0（4） A3, Z= 1, Dc= 1.273 g/cm3, S = 1.070, p = 0.681 mm^-1, F（000） = 460, R = 0.0618 and wR = 0.1619 for 6452 observed reflections with I 〉 2σ（I） Geometry conformations revealed that the dihedral angle between benzodioxole and aromatic planes contributed to the formation of C-H…π interactions. Hydrogen bonds and van der waals interactions were observed to stabilize the three-dimensional packing structure. The compound showed a moderate inhibitory activity against the prostate cancer cells.展开更多
The structure of 1-hydroxy-3,5-dimethoxy-9 H-xanthen-9-one isolated from chloroform extract of Ajuga bracteosa root was analyzed by single-crystal X-ray diffraction. DPPH(1,1-diphenyl-2-picryl hydrazyl), ABTS(2,2?-azi...The structure of 1-hydroxy-3,5-dimethoxy-9 H-xanthen-9-one isolated from chloroform extract of Ajuga bracteosa root was analyzed by single-crystal X-ray diffraction. DPPH(1,1-diphenyl-2-picryl hydrazyl), ABTS(2,2?-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid) radical scavenging activities(RSA) and Fe2+ chelating activities were carried out to determine the antioxidant potential of the compound. RSA values for the compound were 96%, 96% and 96% for all the three activities respectively at maximum concentration of the compound(100 μ gmL-1) with the IC50 values of 3.40, 4.86 and 0.10(μ gmL-1). Antidiabetic activities including antiglycation and α-glucosidase inhibition were also performed where the antiglycation activity was performed using two techniques including spectrofluorometric as well as spectrophotometric technique. Spectrofluorometric technique provided 97% antiglycation potential while 92% antiglycation potential was observed by spectrophotometric technique for the isolated compound. The compound at a concentration of 10 μ gmL-1 exhibited 31% α-glucosidase inhibitory potential with IC50 of 15.56 μ gmL-1. Antimicrobial activity data showed that the compound was active against all the studied pathogenic bacteria.展开更多
The compound 3,3＇-（anthracene-9,10-diyl）bis（1-phenylpropan-1-one）（C32H26O2,Mr=442.55） has been synthesized by the reaction of 2,2＇-（anthracene-9,10-diylbis（methy-lene））bis（1,3-diphenylpropane-1,3-dione） ...The compound 3,3＇-（anthracene-9,10-diyl）bis（1-phenylpropan-1-one）（C32H26O2,Mr=442.55） has been synthesized by the reaction of 2,2＇-（anthracene-9,10-diylbis（methy-lene））bis（1,3-diphenylpropane-1,3-dione） with CsCO3,and its structure was characterized by 1H NMR and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic,space group P21/c with a=9.154（3）,b=5.2777（16）,c=24.897（7） nm,β=107.337（10）°,Z=2 and V=1.1482 nm3.X-ray analysis indicates that an intermolecular hydrogen bond C（8）-H（8A）…O（1）,weak C-H···π between H（9A） and the centre of anthracene rings and weak π-π interactions between two anthracene ring planes are observed.展开更多
基金supported by the National Natural Science Foundation of China (20873150, 20821061, and 50772113)the Natural Science Foundation of Fujian Province (2007F3116, 2007HZ0001-1)the Chinese Academy of Sciences (KJCX2-YW-M05)
文摘A new wave-like infinite chain coordination polymer [Cu3（CN）3（PPh3）4]n（1,PPh3=triphenylphosphine） has been synthesized by solution reaction and characterized by X-ray single-crystal structure diffraction analysis.The complex crystallizes in space group P1 with a=13.343（6）,b=13.429（7）,c=20.694（10）A,α=103.163（4）,β=96.704（5）,γ=101.981（6）o,V=3479（3）A^3,Z=2,C75H60Cu3N3P4,Mr=1317.76,Dc=1.258 g/cm^3,F（000）=1356,μ=1.043 mm^-1,the final R=0.0680 and wR=0.1305 for 9232 observed reflections with I〉2σ（I）.The infinite chain is linked by C-H…π H bonding interactions to form a 2-D supramolecular network.Luminescent study reveals that the complex has green-light emission.
基金supported by the University Science Foundation of Anhui Province (No.KJ2009B104)the Applied Chemistry Key Constructing Subject of Anhui Province (No.200802187C)
文摘The title complex [Cu（L1）（L2）（H2O）]·H2O（1,HL1 = N-（imino（pyridin-2-yl）me-thyl）picolinamidine）,HL2 = salicylic acid） has been obtained by volatilization method with L1 prepared from 2,4,6-tripyridyl-1,3,5-triazine in situ.1 was fully characterized by single-crystal X-ray diffraction,elemental analysis and FT-IR.This complex exhibits a three-dimensional frame-work constructed through hydrogen bonding and C-H···π stacking interactions.The cyclic voltametric behavior of complex 1 was also investigated.1 belongs to the monoclinic system,space group P21/c with a = 15.112（5）,b = 7.115（2）,c = 19.899（6） ,β = 112.32°,V = 1979.4（11） 3,Mr = 460.94,Dc = 1.540 g/cm3,F（000） = 948,μ = 1.146 mm-1,Z = 4,the final R = 0.0612 and wR = 0.1813 for 2510 observed reflections with I 2σ（I）.
文摘A novel {[bis（pyridine-κN）bis（3,5-dinitrosalicylato κ-O,O＇）Zn（Ⅱ）][bis（pyridine-κN）Zn（Ⅱ）]}（C_（34）H_（24）N_8O_（14）Zn_2） was synthesized by a self-assemble method at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P2_1/n with a = 12.2156, b = 13.5696, c = 22.5602 A, β = 90.061o, Z = 4 and V = 3739.6（3）A^3. The new 1D binuclear coordination polymer {[bis（py-κN）bis（3,5-dinitrosal κ-O,O′） Zn（Ⅱ）][bis（py-κN）Zn（Ⅱ）]} resulted from two different types of moieties. The polymer [bis（py-κN）bis（3,5-dinitrosal κ-O,O′）Zn（Ⅱ）] unit is connected with [bis（py-κN） Zn（Ⅱ）] by zigzag topology. One zinc（Ⅱ） cation has a six-fold coordination environment, in which the metal atom is connected with four oxygen atoms of two 3,5-dinitrosalicylic acids to form equatorial bonds and two nitrogen atoms of pyridine to generate the axial bonds. Other four-fold nucleus contain two Zn-O bonds from different 3,5-dinitrosalicylic acids and two bonds with the Natom of pyridine. Antimicrobial assay results indicated that the compound showed moderate activities against different bacterial and fungal strains.
基金Supported by the NNSFC (No 20672073)Shanghai Key Laboratory of Thulium Functional Materials (07d222303)
文摘The title compounds,C9H13ClN6O2S 1 and C15H17ClN6O2S 2,were synthesized and structurally characterized by elemental analysis,IR,1H NMR spectra and single-crystal X-ray diffraction.Compound 1 is in the monoclinic system,space group P21/c with a=13.7711（5）,b=10.3883（4）,c=9.7623（2）,V=1344.47（8）3,Dc=1.506 g/cm3,C9H13ClN6O2S,Mr=304.76,F（000）=632,μ=0.448 mm-1,Z=4,S=1.084,R=0.0497 and wR=0.1328 for 2640 unique reflections（Rint=0.0787） with 2089 observed ones（I2σ（I））.Compound 2 belongs to the monoclinic system,space group P21/n with a=8.3828（5）,b=14.5285（7）,c=14.2456（4）,V=1729.74（14）3,Dc=1.462 g/cm3,C15H17ClN6O2S,Mr=380.86,F（000）=792,μ=0.364 mm-1,Z=4,S=1.057,R=0.0598 and wR=0.1582 for 3384 unique reflections（Rint=0.0469） with 2833 observed ones（I2σ（I））.Compounds 1 and 2 are homologues and stabilized by intermolecular and intramolecular hydrogen bonds.Moreover,compound 2 containing C（2）–H（2）…π（thiazole） interaction is more stable than 1.
基金This work was supported by the Key Laboratory of Organic Synthesis of Jiangsu Province
文摘A new Schiff base, N-phenyl-(2S)-hydroxy-3-[(2-hydroxybenzylidene)amino]pro- pionamide, has been synthesized by using (S)-isoserine as the starting material. Its crystal struc- ture with solvent benzene was determined by X-ray single-crystal diffraction, elemental analysis and 1H NMR. The crystal belongs to the monoclinic system with space group P21, a = 5.673(3), b = 15.486(8), c = 18.753(9) ?, β = 90.086(7)o, C16H16O3N2?1/2C6H6, Mr = 323.36, V = 1647.7(14) ?3, Z = 4, Dc = 1.304 g/cm3, μ = 0.089 cm-1, F(000) = 684.00, the final R = 0.0624 and wR = 0.1320 for 2613 observed reflections (I > 2σ(I)). The asymmetric unit of the crystal has two crystallographically different molecules with the same configuration and one solvent benzene molecule, and they are not planar. In the crystal, molecules are stacked through H-bonds along [100] and the stacks are laterally interacted through H-bonds and extended along [010]. In the third direction [101], molecules interact through C–H…π interaction, which is one of the major factors stabilizing the crystal structure.
基金supported by the Natural Science Foundation of Guangdong Province(No.S2013040014088)the Postdoctoral Science Foundation of Guangzhou City(Q188)
文摘The title compound 1-（3-（（benzo[d][1,3]dioxol-5-yloxy）methyl）phenethyl）-4- phenylpiperidin-4-ol （4, C27H29NO4, Mr = 431.51） was synthesized by a four-step reaction and characterized by 1H NMR, 13C NMR, elemental analysis and single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a = 5.8033（12）, b = 10.705（2）, c = 18.393（4）A, a = 83A4（3）, β = 82.71（3）, γ = 88.88 （3）°, V= 1126.0（4） A3, Z= 1, Dc= 1.273 g/cm3, S = 1.070, p = 0.681 mm^-1, F（000） = 460, R = 0.0618 and wR = 0.1619 for 6452 observed reflections with I 〉 2σ（I） Geometry conformations revealed that the dihedral angle between benzodioxole and aromatic planes contributed to the formation of C-H…π interactions. Hydrogen bonds and van der waals interactions were observed to stabilize the three-dimensional packing structure. The compound showed a moderate inhibitory activity against the prostate cancer cells.
基金supported by Higher Education Commission(HEC)Govt.of Pakistan
文摘The structure of 1-hydroxy-3,5-dimethoxy-9 H-xanthen-9-one isolated from chloroform extract of Ajuga bracteosa root was analyzed by single-crystal X-ray diffraction. DPPH(1,1-diphenyl-2-picryl hydrazyl), ABTS(2,2?-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid) radical scavenging activities(RSA) and Fe2+ chelating activities were carried out to determine the antioxidant potential of the compound. RSA values for the compound were 96%, 96% and 96% for all the three activities respectively at maximum concentration of the compound(100 μ gmL-1) with the IC50 values of 3.40, 4.86 and 0.10(μ gmL-1). Antidiabetic activities including antiglycation and α-glucosidase inhibition were also performed where the antiglycation activity was performed using two techniques including spectrofluorometric as well as spectrophotometric technique. Spectrofluorometric technique provided 97% antiglycation potential while 92% antiglycation potential was observed by spectrophotometric technique for the isolated compound. The compound at a concentration of 10 μ gmL-1 exhibited 31% α-glucosidase inhibitory potential with IC50 of 15.56 μ gmL-1. Antimicrobial activity data showed that the compound was active against all the studied pathogenic bacteria.
基金Supported by the National Natural Science Foundation of China (No. 20772152) and the State Key Laboratory of Structural Chemistry
文摘The compound 3,3＇-（anthracene-9,10-diyl）bis（1-phenylpropan-1-one）（C32H26O2,Mr=442.55） has been synthesized by the reaction of 2,2＇-（anthracene-9,10-diylbis（methy-lene））bis（1,3-diphenylpropane-1,3-dione） with CsCO3,and its structure was characterized by 1H NMR and single-crystal X-ray diffraction.The crystal of the title compound belongs to monoclinic,space group P21/c with a=9.154（3）,b=5.2777（16）,c=24.897（7） nm,β=107.337（10）°,Z=2 and V=1.1482 nm3.X-ray analysis indicates that an intermolecular hydrogen bond C（8）-H（8A）…O（1）,weak C-H···π between H（9A） and the centre of anthracene rings and weak π-π interactions between two anthracene ring planes are observed.
