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N-(4-氯-3-甲基苯基)琥珀酰胺酸

N-(4-Chloro-3-methyl-phen-yl)succinamic acid.

作者信息

Chaithanya U, Foro Sabine, Gowda B Thimme

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2003. doi: 10.1107/S1600536812024567. Epub 2012 Jun 13.

DOI:10.1107/S1600536812024567
PMID:22807832
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393275/
Abstract

The title compound, C(11)H(12)ClNO(3), crystallizes with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the benzene ring and the amide group are 55.0 (2) and 28.2 (3)°. The two independent mol-ecules are linked by an N-H⋯O hydrogen bond. In the crystal, mol-ecules form inversion dimers via pairs of O-H⋯O hydrogen bonds. These dimers are linked into sheets parallel to (11-3) via N-H⋯O hydrogen bonds.

摘要

标题化合物C(11)H(12)ClNO(3)在不对称单元中以两个独立分子结晶,其中苯环与酰胺基团之间的二面角分别为55.0 (2)°和28.2 (3)°。两个独立分子通过N—H⋯O氢键相连。在晶体中,分子通过O—H⋯O氢键对形成反演二聚体。这些二聚体通过N—H⋯O氢键连接成平行于(11-3)的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/289a/3393275/6e4f37d3a2ff/e-68-o2003-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/289a/3393275/72b250be4a6b/e-68-o2003-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/289a/3393275/6e4f37d3a2ff/e-68-o2003-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/289a/3393275/72b250be4a6b/e-68-o2003-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/289a/3393275/6e4f37d3a2ff/e-68-o2003-fig2.jpg

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本文引用的文献

1
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Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o835. doi: 10.1107/S1600536812007623. Epub 2012 Feb 24.
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Structure validation in chemical crystallography.化学晶体学中的结构验证
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A short history of SHELX.SHELX简史。
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