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

• 作者: 张晓梅 曾伍兰
• 来源期刊: 结构化学
• 学科: 其他
• 关键词: synthesis,crystal structure,phthalonitrile
• 年，卷（期）: 2012,（5）
• 页码范围: 635-638
• 页数: 4页
• 分类号: O
• 语种: 英文

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.