1-（3,5-二硝基苯甲酰基）-3,3-二丙基硫脲
1-(3,5-Dinitro-benzo-yl)-3,3-dipropyl-thio-urea.
作者信息
Saeed Sohail, Rashid Naghmana, Sher Muhammad, Ng Seik Weng, Tiekink Edward R T
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1162. doi: 10.1107/S1600536811013638. Epub 2011 Apr 16.
Abstract
The title thio-urea derivative, C(14)H(18)N(4)O(5)S, features two substantial twists between its component fragments: the dihedral angle between the SN(2)C (thio-urea) and ONC(2) (amide) residues is 48.89 (7)° and that between the benzene ring and the amide residue is 30.27 (7)°. In the crystal, mol-ecules are linked by bifurcated N-H⋯(O,S) hydrogen bonds, generating [001] supra-molecular chains.
摘要
标题化合物硫脲衍生物C(14)H(18)N(4)O(5)S的组成片段之间存在两个明显的扭曲：硫脲的SN(2)C和酰胺的ONC(2)残基之间的二面角为48.89 (7)°，苯环与酰胺残基之间的二面角为30.27 (7)°。在晶体中，分子通过分叉的N-H⋯(O,S)氢键相连，形成[001]超分子链。
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