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3-[(3,4-二氯苯基)氨基甲酰基]丙酸一水合物

3-[(3,4-Dichloro-phen-yl)amino-carbon-yl]propionic acid monohydrate.

作者信息

Gowda B Thimme, Foro Sabine, Saraswathi B S, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 1;65(Pt 8):o1722. doi: 10.1107/S1600536809024519.

DOI:10.1107/S1600536809024519
PMID:21583439
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977205/
Abstract

In the crystal structure of the title compound, C(10)H(9)Cl(2)NO(3)·H(2)O, the conformations of the amide O atom and the carbonyl O atom of the acid segment are anti to the H atoms of adjacent -CH(2) groups. In the crystal, the mol-ecules are linked into a three-dimensional network through N-H⋯O and O-H⋯O inter-molecular hydrogen bonds.

摘要

在标题化合物C(10)H(9)Cl(2)NO(3)·H(2)O的晶体结构中,酸段的酰胺O原子和羰基O原子的构象与相邻-CH(2)基团的H原子呈反式。在晶体中,分子通过N-H⋯O和O-H⋯O分子间氢键连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc2e/2977205/a6038dd4046d/e-65-o1722-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc2e/2977205/a65f58b1d46b/e-65-o1722-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc2e/2977205/a6038dd4046d/e-65-o1722-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc2e/2977205/a65f58b1d46b/e-65-o1722-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc2e/2977205/a6038dd4046d/e-65-o1722-fig2.jpg

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本文引用的文献

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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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