2-(3-苯甲酰基-硫代脲基)乙酸丙酯
Propyl 2-(3-benzoyl-thio-ureido)acetate.
作者信息
Hassan Ibrahim N, Yamin Bohari M, Kassim Mohammad B
机构信息
School of Chemical Sciences and Food Technology, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, UKM 43600 Bangi Selangor, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 9;64(Pt 11):o2083. doi: 10.1107/S1600536808030596.
The title compound, C(13)H(16)N(2)O(3)S, is a thio-urea derivative with benzoyl and propoxycarbonyl-methyl groups attached to the two terminal N atoms. These groups adopt trans and cis configurations, respectively, with respect to the S atom across the thio-urea C-N bonds. The compound crystallizes in the P2(1)/c space group with Z = 8, resulting in two unique molecules in the asymmetric unit linked by C-H⋯S and C-H⋯O hydrogen bonds, forming a one-dimensional zigzag chain along the c axis.
标题化合物C(13)H(16)N(2)O(3)S是一种硫脲衍生物，两个末端氮原子上分别连接有苯甲酰基和丙氧基羰基甲基。相对于硫脲C-N键上的硫原子，这些基团分别采取反式和顺式构型。该化合物以P2(1)/c空间群结晶，Z = 8，在不对称单元中有两个独特的分子，通过C-H⋯S和C-H⋯O氢键相连，沿c轴形成一维锯齿链。
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