3-(3-苯甲酰基硫代脲基)丙酸甲酯
Methyl 3-(3-benzoyl-thio-ureido)propano-ate.
作者信息
Hassan Ibrahim N, Yi Chong Yan, Kassim Mohammad B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o780. doi: 10.1107/S160053681100568X. Epub 2011 Mar 5.
Abstract
In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis-trans conformation, respectively, with respect to the thiono S atom across the C-N bonds. The phenyl ring is twisted relative to the the thio-urea mean plane, forming a dihedral angle of 24.16 (9)°. An intra-molecular N-H⋯O hydrogen bond occurs. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a chain along the a axis.
摘要
在标题化合物C₁₂H₁₄N₂O₃S中，乙酸丙酯基团和苯甲酰基分别相对于硫羰基硫原子在C-N键两侧呈顺-反构象。苯环相对于硫脲平均平面发生扭曲，形成的二面角为24.16（9）°。存在分子内N-H⋯O氢键。晶体堆积通过分子间N-H⋯O和C-H⋯O氢键得以稳定，沿a轴形成一条链。
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