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 crystal structure of [CoCl(C_7H_5N_2CH_2COPh)_4]Br has been determined by means of X-ray crystallography. The molecular structure consists of a discrete [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation and one Br- anion. In th...The crystal structure of [CoCl(C_7H_5N_2CH_2COPh)_4]Br has been determined by means of X-ray crystallography. The molecular structure consists of a discrete [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation and one Br- anion. In the [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation, the coordination geometry of the central Co atom is square-pyramidal with four tertiary N atoms of benzimidazole from four α-(benzimidazol-1-yl)-hypnone ligands in the basal position and one chloride anion in the apical position. In the solid state, [CoCl(C_7H_5N_2CH_2COPh)_4]+ and Br- anion possess intermolecular and intramolecular interactions, which stabilize the crystal structure. The characterization of the title compound were also carried out by using elemeutal analysis, FTIR, UV spectrometries and TG-DSC.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.
文摘The crystal structure of [CoCl(C_7H_5N_2CH_2COPh)_4]Br has been determined by means of X-ray crystallography. The molecular structure consists of a discrete [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation and one Br- anion. In the [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation, the coordination geometry of the central Co atom is square-pyramidal with four tertiary N atoms of benzimidazole from four α-(benzimidazol-1-yl)-hypnone ligands in the basal position and one chloride anion in the apical position. In the solid state, [CoCl(C_7H_5N_2CH_2COPh)_4]+ and Br- anion possess intermolecular and intramolecular interactions, which stabilize the crystal structure. The characterization of the title compound were also carried out by using elemeutal analysis, FTIR, UV spectrometries and TG-DSC.
