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4-氯-N-(2,4-二甲基苯基)苯磺酰胺

4-Chloro-N-(2,4-dimethyl-phen-yl)benzene-sulfonamide.

作者信息

Shakuntala K, Foro Sabine, Gowda B Thimme

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1536. doi: 10.1107/S160053681101960X. Epub 2011 May 28.

DOI:10.1107/S160053681101960X
PMID:21754896
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120421/
Abstract

In the title compound, C(14)H(14)ClNO(2)S, the N-H bond points away from the dimethyl-phenyl ring plane. The mol-ecule is twisted at the S atom, with a C-SO(2)-NH-C torsion angle of -75.5 (2)°. The two aromatic rings are tilted relative to each other by 63.3 (1)°. The Cl atom on the chloro-benzene ring is disordered over two sites with site-occupation factors of 0.59 (3) and 0.41 (3), respectively. The crystal structure features inversion-related dimers linked by inter-molecular N-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₄H₁₄ClNO₂S中,N - H键远离二甲基苯环平面。分子在S原子处发生扭曲,C - SO₂ - NH - C扭转角为 - 75.5 (2)°。两个芳环彼此倾斜63.3 (1)°。氯苯环上的Cl原子在两个位置上无序,占位因子分别为0.59 (3)和0.41 (3)。晶体结构具有通过分子间N - H⋯O氢键连接的反演相关二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0b8/3120421/e756ddcc00a5/e-67-o1536-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0b8/3120421/7899f60dc174/e-67-o1536-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0b8/3120421/e756ddcc00a5/e-67-o1536-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0b8/3120421/7899f60dc174/e-67-o1536-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0b8/3120421/e756ddcc00a5/e-67-o1536-fig2.jpg

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本文引用的文献

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4-Chloro-N-(2,6-dimethyl-phen-yl)benzene-sulfonamide.4-氯-N-(2,6-二甲基苯基)苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1401. doi: 10.1107/S160053681101717X. Epub 2011 May 14.
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4-Chloro-N-(2,3-dimethyl-phen-yl)benzene-sulfonamide.4-氯-N-(2,3-二甲基苯基)苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1328. doi: 10.1107/S1600536811016321. Epub 2011 May 7.
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4-Chloro-N-phenyl-benzene-sulfonamide.4-氯-N-苯基苯磺酰胺
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