| Synthesis and Crystal Structure of 4,5-Bis（2-chloroethylthio）phthalonitrile |
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| 引用本文： | 曾伍兰,张晓梅.Synthesis and Crystal Structure of 4,5-Bis（2-chloroethylthio）phthalonitrile[J].结构化学,2012(5):635-638. |
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| 作者姓名： | 曾伍兰 张晓梅 |
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| 作者单位： | [1]Microscale Science Institute, Department of Chemistry andChemical Engineering, Weifang University, Weifang 261061, China [2]School of Chemistry ＆ Chemical Technology, Shandong University, Jinan 250100, China |
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| 基金项目： | Project supported by the Natural Science Foundation of Shandong Province （No. Y2008B29,No. ZR2010CL011 and No. ZR2010BM033） |
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| 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.
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| 关 键 词： | synthesis crystal structure phthalonitrile |
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