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S-苄基硫脲 3-硝基苯磺酸盐

S-Benzyl-thio-uronium 3-nitro-benzene-sulfonate.

作者信息

Fun Hoong-Kun, Jebas Samuel Robinson, Razak Ibrahim Abdul, Deepak D'Silva E, Patil P S, Dharmaprakash S M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):o1195-6. doi: 10.1107/S1600536808016115.

DOI:10.1107/S1600536808016115
PMID:21202837
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961859/
Abstract

In the title compound, C(8)H(11)N(2)S(+)·C(6)H(4)NO(5)S(-), the asymmetric unit is composed of two crystallographically independent S-benzyl-thio-uronium cations and two independent nitro-benzene-sulfonate anions. An intra-molecular hydrogen bond generates an S(5)S(5) ring motif. The crystal packing is stabilized by intra-molecular C-H⋯O and inter-molecular C-H⋯O, N-H⋯O and N-H⋯S hydrogen bonds which, along with short S⋯O [3.034 (2) Å] and N⋯O [2.796 (3) Å] contacts, form a two-dimensional network parallel to the ab plane.

摘要

在标题化合物C(8)H(11)N(2)S(+)·C(6)H(4)NO(5)S(-)中,不对称单元由两个晶体学独立的S-苄基硫脲阳离子和两个独立的硝基苯磺酸盐阴离子组成。分子内氢键形成了一个S(5)S(5)环模式。晶体堆积通过分子内C-H⋯O和分子间C-H⋯O、N-H⋯O以及N-H⋯S氢键得以稳定,这些氢键连同短的S⋯O [3.034 (2) Å]和N⋯O [2.796 (3) Å]接触,形成了一个平行于ab平面的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd2a/2961859/5b56afaa7c45/e-64-o1195-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd2a/2961859/0eb4e4273140/e-64-o1195-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd2a/2961859/5b56afaa7c45/e-64-o1195-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd2a/2961859/0eb4e4273140/e-64-o1195-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bd2a/2961859/5b56afaa7c45/e-64-o1195-fig2.jpg

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