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4-氯-N-(2,6-二甲基苯基)苯磺酰胺

4-Chloro-N-(2,6-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):o1401. doi: 10.1107/S160053681101717X. Epub 2011 May 14.

DOI:10.1107/S160053681101717X
PMID:21754786
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120512/
Abstract

In the title compound, C(14)H(14)ClNO(2)S, the amido H atom orients itself away from both the ortho-methyl groups in the adjacent aromatic ring. The mol-ecule is twisted at the S atom with an C-SO(2)-NH-C torsion angle of -69.9 (2)°. The two aromatic rings are tilted relative to each other by 31.9 (1)°. In the crystal, the mol-ecules are packed into zigzag chains along the b axis via inter-molecular N-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₄H₁₄ClNO₂S中,酰胺氢原子远离相邻芳环中的两个邻位甲基。分子在S原子处发生扭曲,C-SO₂-NH-C扭转角为-69.9 (2)°。两个芳环彼此倾斜31.9 (1)°。在晶体中,分子通过分子间N-H⋯O氢键沿b轴堆积成锯齿链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f91f/3120512/a97344cc50da/e-67-o1401-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f91f/3120512/2487f5641e4c/e-67-o1401-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f91f/3120512/a97344cc50da/e-67-o1401-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f91f/3120512/2487f5641e4c/e-67-o1401-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f91f/3120512/a97344cc50da/e-67-o1401-fig2.jpg

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本文引用的文献

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N-(2,6-Dimethyl-phen-yl)benzene-sulfonamide.N-(2,6-二甲基苯基)苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 6;64(Pt 9):o1691. doi: 10.1107/S1600536808024653.
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Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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Hydrogen bonding in sulfonamides.磺酰胺中的氢键。
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