Synthesis and Crystal Structure of 4,5-Bis(2-chloroethylthio)phthalonitrile  

作　　者：曾伍兰 张晓梅 

机构地区：[1]Microscale Science Institute,Department of Chemistry and Chemical Engineering,Weifang University [2]School of Chemistry&Chemical Technology,Shandong University

出　　处：《Chinese Journal of Structural Chemistry》2012年第5期635-638,共4页结构化学（英文）

基　　金：Project supported by the Natural Science Foundation of Shandong Province (No. Y2008B29,No. ZR2010CL011 and No. ZR2010BM033)

摘　　要：A novel phthalonitrile compound,[C12H10Cl2N2S2],has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 10.6417（8）,b = 7.5737（6）,c = 18.2758（14）,β = 105.2480（10）°,Mr = 317.24,V = 1421.12（19）3,Z = 4,Dc = 1.483 g/cm3,F（000） = 648,μ = 0.733 mm-1,R = 0.0173 and wR = 0.2183.In the structure,the C atoms of the aromatic ring,the two cyanide groups and the two S atoms are almost coplanar（maximum deviation from the mean plane = 0.049（7） ）.Two potential weak intermolecular interactions of C-H…N and one type of π…π stacking interaction with a centroid-centroid separation of 3.751（8） stabilize the crystal structure.A novel phthalonitrile compound,[C12H10Cl2N2S2],has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 10.6417（8）,b = 7.5737（6）,c = 18.2758（14）,β = 105.2480（10）°,Mr = 317.24,V = 1421.12（19）3,Z = 4,Dc = 1.483 g/cm3,F（000） = 648,μ = 0.733 mm-1,R = 0.0173 and wR = 0.2183.In the structure,the C atoms of the aromatic ring,the two cyanide groups and the two S atoms are almost coplanar（maximum deviation from the mean plane = 0.049（7） ）.Two potential weak intermolecular interactions of C-H…N and one type of π…π stacking interaction with a centroid-centroid separation of 3.751（8） stabilize the crystal structure.

关 键 词：SYNTHESIS crystal structure PHTHALONITRILE 

分 类 号：O621.2[理学—有机化学]