Synthesis and Crystal Structure of cis-1,2-Dicyano-1,2-bis(2-methyl-4-bromo-3-thienyl)ethane

被引：0
|
作者：
路桂芬 [1 ,2 ]
王海龙 [2 ]
孙绚 [2 ]
机构：
[1] School of Chemistry and Chemical Engineering, Jiangsu University
[2] School of Chemistry & Chemical Technology, Shandong
来源：
结构化学 | 2009年 / 28卷 / 08期
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中图分类号：
O621.3 [有机合成化学];
学科分类号：
摘要：
The title compound cis-1,2-dicyano-1,2-bis(2-methyl-4-bromo-3-thienyl)ethane has been synthesized and structurally characterized by X-ray single-crystal diffraction method. Crystal data:triclinic,space group P1,Z = 2,C14H8Br2N2S2,Mr = 428.16,a = 6.9410(5),b = 11.0150(9),c = 11.1760(8) ,α = 70.3390(10),β = 76.1860(10),γ = 79.5490(10)o,V = 776.59(10) 3,Dc = 1.831 g/cm3,μ(MoKα) = 5.478 mm-1,F(000) = 416,R = 0.0487 and wR = 0.1453 for 2456 observed reflections with Ⅰ > 2σ(Ⅰ). X-ray analysis reveals that the two thiophene rings are significantly twisted with an average dihedral angle of 57.45o. The molecule adopts a photo-active antiparallel conformation and the distance between the two reactive C atoms of thiophene rings is 3.465(8) . These structural elements which exhibit a suitable geometry are extensively explored for photochromic behavior in the crystalline state.
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页码：935 / 938
页数：4
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