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1-(4-溴苯基)-1-(4-硝基苯甲酰基)硫脲

1-(4-Bromo-phen-yl)-1-(4-nitro-benzo-yl)thio-urea.

作者信息

Saeed Sohail, Rashid Naghmana, Tahir Arifa, Jones Peter G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1870-1. doi: 10.1107/S1600536809025884.

Abstract

The title compound, C(14)H(10)BrN(3)O(3)S, crystallizes as two concomitant polymorphs that differ in colour (one yellow and one colourless). Only the structure of the colourless form could be determined. The mol-ecule exists in the thio-amide form with an intra-molecular N-H⋯O=C hydrogen bond across the thio-urea system. Mol-ecules are linked into layers parallel to (120) by Br⋯O(nitro) contacts [3.103 (1) Å], classical hydrogen bonds from the other NH function to the S atom and N(nitro)⋯O=C contacts. The layers are linked by weak C-H⋯O(nitro) hydrogen bonds to produce the observed three-dimensional network.

摘要

标题化合物C(14)H(10)BrN(3)O(3)S以两种伴随的多晶型物形式结晶,它们颜色不同(一种为黄色,一种为无色)。仅确定了无色形式的结构。分子以硫代酰胺形式存在,通过硫脲体系存在分子内N-H⋯O=C氢键。分子通过Br⋯O(硝基)接触[3.103 (1) Å]、另一个NH官能团与S原子之间的经典氢键以及N(硝基)⋯O=C接触连接成平行于(120)的层。这些层通过弱C-H⋯O(硝基)氢键连接以产生观察到的三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca4c/2977201/a8a055c158ba/e-65-o1870-fig1.jpg

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