Fan Zheng, Huang Yan-Lan, Wang Zhao, Guo Han-Qi, Shan Shang
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3015. doi: 10.1107/S1600536811042826. Epub 2011 Oct 22.
The title compound, C(16)H(15)BrN(2)OS(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-bromo-5-meth-oxy-lbenzaldehyde. In the mol-ecule, the bromo-meth-oxy-phenyl ring and dithio-carbazate fragment are located on the opposite sides of the C=N double bond, showing the E conformation. The dithio-carbazate fragment is approximately planar (r.m.s deviation 0.0187 Å); its mean plane is oriented with respect to the bromo-meth-oxy-phenyl and phenyl rings at 7.60 (12) and 60.08 (9)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur. A short Br⋯Br contact of 3.5526 (12) Å is observed in the crystal structure.
标题化合物C(16)H(15)BrN(2)OS(2)是由苄基二硫代氨基脲与2-溴-5-甲氧基苯甲醛的缩合反应制得。在分子中，溴甲氧基苯环和二硫代氨基脲片段位于C=N双键的两侧，呈E构象。二硫代氨基脲片段近似平面结构（均方根偏差为0.0187 Å）；其平均平面相对于溴甲氧基苯环和苯环的取向分别为7.60 (12)°和60.08 (9)°。在晶体中，通过N-H⋯S氢键对形成反演二聚体。在晶体结构中观察到短的Br⋯Br接触，距离为3.5526 (12) Å。
