Crystal Structure and Characterization of Bis(4-isoniazidylthioformyl) Disulfide Hydration Sodium Coordination Polymer:n[(4-Pyridyl-CONHNCS_2)_2^(2-)]·[Na_2(H_2O)_8^(2+)]_n  

作　　者：WANG Ying BEI Feng-Li YAN Lian-He 

机构地区：[1]School of Chemical Engineering, Nanjing Universityof Science and Technology, Nanjing 210094, China

出　　处：《Chinese Journal of Structural Chemistry》2006年第6期740-746,共7页结构化学（英文）

基　　金：Supported by the Natural Science Foundation of Jiangsu Province (No. BK2005130)

摘　　要：The title compound has been prepared and characterized by elemental analysis, infrared spectra, NMR and thermal analyses, and its crystal structure was determined by X-ray diffraction method. The crystal crystallizes in the monoclinic system, space group C2/c with a = 2.3066（5）, b = 0.53320（ 11）, c = 2.3236（5） nm,β= 102.76（3）°, V = 2.7872（ 10） nm^3, Mr = 612.67, Z = 4, Dc = 1.460 g/cm^3, R = 0.0570 and wR = 0.1271. In the title compound, two 4-isoniazidylthioformyl units are bridged by S-S bond （0.2037（3） nm）. The Na ions are linked by O（4）, O（4A）, O（1） and O（1A） to form a one-dimensional hydration sodium coordination polymer. The Na ion is coordinated by a meridional arrangement of the six O atoms to assume a slightly distorted octahedron as a result of intermolecular hydrogen bonds. The thermal analytical data indicate that it decomposes completely at the temperature of 609.26 ℃.The title compound has been prepared and characterized by elemental analysis, infrared spectra, NMR and thermal analyses, and its crystal structure was determined by X-ray diffraction method. The crystal crystallizes in the monoclinic system, space group C2/c with a = 2.3066（5）, b = 0.53320（ 11）, c = 2.3236（5） nm,β= 102.76（3）°, V = 2.7872（ 10） nm^3, Mr = 612.67, Z = 4, Dc = 1.460 g/cm^3, R = 0.0570 and wR = 0.1271. In the title compound, two 4-isoniazidylthioformyl units are bridged by S-S bond （0.2037（3） nm）. The Na ions are linked by O（4）, O（4A）, O（1） and O（1A） to form a one-dimensional hydration sodium coordination polymer. The Na ion is coordinated by a meridional arrangement of the six O atoms to assume a slightly distorted octahedron as a result of intermolecular hydrogen bonds. The thermal analytical data indicate that it decomposes completely at the temperature of 609.26 ℃.

关 键 词：crystal structure bridging isoniazide coordination polymer 

分 类 号：O614.112[理学—无机化学] O634[理学—化学]