The title compound [Ag(CH3CONHC(S)NH2)2](NO3) has been prepared by hydrothermal synthesis and characterized by single-crystal X-ray diffraction. It crystallizes in mo-noclinic, space group P21/c with Mr = 406.20 (C6H1...The title compound [Ag(CH3CONHC(S)NH2)2](NO3) has been prepared by hydrothermal synthesis and characterized by single-crystal X-ray diffraction. It crystallizes in mo-noclinic, space group P21/c with Mr = 406.20 (C6H12Ag N5O5S2), a = 12.0680(6), b = 6.8056(5), c = 18.0173(1) ? b = 111.383(4), V = 1377.9(2) 3, Z = 4, Dc = 1.958 g/cm3 , F(000) = 808, = 1.789 mm-1, R = 0.0361 and wR = 0.1015. Of 4185 reflections ((2)max = 55.00?, 3147 were unique (Rint = 0.0174) and 2820 with I > 2(I) were used to solve the structure. The silver(I) atom adopts V-shape geometry with the AgS bond distance of 2.4271(7) and 2.7229(9) , respectively. Seven atoms of one acetylthiocarbamide ligand are coplanar, while only four atoms of another acetylthio-carbamide ligand are fairly planar. The [Ag(CH3CONHC(S)NH2)2]+ cation and nitrate anion NO3- are connected by hydrogen bonds to form a three dimensional hydrogen bonding network..展开更多
The structure of chiral N-ethyl-N-(2,3,4,6-tetra-O-acetyl-b-D-glycosyl)-thio- carbamide was determined by X-ray diffraction method. It crystallizes in the monoclinic system, space group P21 with a = 7.6560(15), b = 10...The structure of chiral N-ethyl-N-(2,3,4,6-tetra-O-acetyl-b-D-glycosyl)-thio- carbamide was determined by X-ray diffraction method. It crystallizes in the monoclinic system, space group P21 with a = 7.6560(15), b = 10.311(2), c =14.181(3) ? b =100.88(3), C17H26N2O9S, Mr = 434.46, V = 1099.3(4) ?, Z = 2, Dc = 1.312 g/cm3, F(000) = 460, m = 0.196 mm-1, R = 0.0704 and wR = 0.1655. The total independent reflections were 5098, of which 1875 were observed with I ≥2s(I). The hexopyranosyl ring adopts a chair conformation. All the ring substituents are in the equatorial positions. The acetoxylmethyl group is in the gauche-gauche conformation. The S atom is in synperiplanar conformation, while the NCNC linkage is antiperiplanar. X-ray analysis shows that the absolute configuration of the chiral carbon atom at C(1) was proved to be b-form. The 1H NMR spectra and IR are in good agreement with the result of crystallography analysis. The NH…O intermolecular hydrogen bonds link the molecules into infinite chains connected by CH…O interactions.展开更多
The title compound [ClCH2(C7H6N2)]NO3 has been prepared and characterized by elemental analysis and X-ray studies. It crystallizes in the monoclinic system, space group P21/n with a = 7.4189(3), b =15.3064(6), c = 9.2...The title compound [ClCH2(C7H6N2)]NO3 has been prepared and characterized by elemental analysis and X-ray studies. It crystallizes in the monoclinic system, space group P21/n with a = 7.4189(3), b =15.3064(6), c = 9.2657(3) ? b = 102.449(2)? C8H8ClN3O3, Mr = 229.62, V = 1027.44(7) 3, Z = 4, Dc = 1.484 g/cm3, F(000) = 472, = 0.363 mm-1, R = 0.0671 and wR = 0.1546. The crystal structure consists of discrete 2-chloromethyl-1H-benzimidazole cations and NO3- anions. The benzimidazole ring with the conjunction carbon atom C(1) is fairly planar, with the deviation from the least plane through the ring atoms is smaller than 0.010(3) ? The analytical results of crystal structure show that three different non-covalent interactions in the compound, NH…O intermolecular hydrogen bonds, CH…O interaction and p-p stacking interaction, play an important role in the crystal packing.展开更多
The title compound, 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide was synthesized by several reactions from 4-methoxyacetophenone, triazole and phenyl isothiocyanate. The structure was identified by ...The title compound, 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide was synthesized by several reactions from 4-methoxyacetophenone, triazole and phenyl isothiocyanate. The structure was identified by elemental analysis, ~ 1H NMR, MS and IR. The single crystal structure of 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide was determined with X-ray diffraction. The preliminary bioassays show that the title compound exhibits weak antifungal activities and plant-growth regulatory activity.展开更多
基金This work was supported by the Natural Science Foundation of Shandong province (No.Y2002B06) and Science Research Foundation of Qingdao University of Science and Technology (No. 03Z08)
文摘The title compound [Ag(CH3CONHC(S)NH2)2](NO3) has been prepared by hydrothermal synthesis and characterized by single-crystal X-ray diffraction. It crystallizes in mo-noclinic, space group P21/c with Mr = 406.20 (C6H12Ag N5O5S2), a = 12.0680(6), b = 6.8056(5), c = 18.0173(1) ? b = 111.383(4), V = 1377.9(2) 3, Z = 4, Dc = 1.958 g/cm3 , F(000) = 808, = 1.789 mm-1, R = 0.0361 and wR = 0.1015. Of 4185 reflections ((2)max = 55.00?, 3147 were unique (Rint = 0.0174) and 2820 with I > 2(I) were used to solve the structure. The silver(I) atom adopts V-shape geometry with the AgS bond distance of 2.4271(7) and 2.7229(9) , respectively. Seven atoms of one acetylthiocarbamide ligand are coplanar, while only four atoms of another acetylthio-carbamide ligand are fairly planar. The [Ag(CH3CONHC(S)NH2)2]+ cation and nitrate anion NO3- are connected by hydrogen bonds to form a three dimensional hydrogen bonding network..
基金The authors would like to thank the Educational Administration Key Project of Shandong province+8 种基金 (No. J01C05) the Outstanding Adult-young Scientific Research Encouraging Foundation of Shandong
文摘The structure of chiral N-ethyl-N-(2,3,4,6-tetra-O-acetyl-b-D-glycosyl)-thio- carbamide was determined by X-ray diffraction method. It crystallizes in the monoclinic system, space group P21 with a = 7.6560(15), b = 10.311(2), c =14.181(3) ? b =100.88(3), C17H26N2O9S, Mr = 434.46, V = 1099.3(4) ?, Z = 2, Dc = 1.312 g/cm3, F(000) = 460, m = 0.196 mm-1, R = 0.0704 and wR = 0.1655. The total independent reflections were 5098, of which 1875 were observed with I ≥2s(I). The hexopyranosyl ring adopts a chair conformation. All the ring substituents are in the equatorial positions. The acetoxylmethyl group is in the gauche-gauche conformation. The S atom is in synperiplanar conformation, while the NCNC linkage is antiperiplanar. X-ray analysis shows that the absolute configuration of the chiral carbon atom at C(1) was proved to be b-form. The 1H NMR spectra and IR are in good agreement with the result of crystallography analysis. The NH…O intermolecular hydrogen bonds link the molecules into infinite chains connected by CH…O interactions.
基金the Natural Science Foundation of Shandong province (No. Y2002B06)the Outstanding Adult-Young Scientific Research Encouraging Foundation of Shandong province (No. O1BS18)
文摘The title compound [ClCH2(C7H6N2)]NO3 has been prepared and characterized by elemental analysis and X-ray studies. It crystallizes in the monoclinic system, space group P21/n with a = 7.4189(3), b =15.3064(6), c = 9.2657(3) ? b = 102.449(2)? C8H8ClN3O3, Mr = 229.62, V = 1027.44(7) 3, Z = 4, Dc = 1.484 g/cm3, F(000) = 472, = 0.363 mm-1, R = 0.0671 and wR = 0.1546. The crystal structure consists of discrete 2-chloromethyl-1H-benzimidazole cations and NO3- anions. The benzimidazole ring with the conjunction carbon atom C(1) is fairly planar, with the deviation from the least plane through the ring atoms is smaller than 0.010(3) ? The analytical results of crystal structure show that three different non-covalent interactions in the compound, NH…O intermolecular hydrogen bonds, CH…O interaction and p-p stacking interaction, play an important role in the crystal packing.
文摘The title compound, 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide was synthesized by several reactions from 4-methoxyacetophenone, triazole and phenyl isothiocyanate. The structure was identified by elemental analysis, ~ 1H NMR, MS and IR. The single crystal structure of 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-1-yl)thioacetamide was determined with X-ray diffraction. The preliminary bioassays show that the title compound exhibits weak antifungal activities and plant-growth regulatory activity.
