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N-(4-甲氧基苯基)马来酰胺酸

N-(4-Meth-oxy-phen-yl)maleamic acid.

作者信息

Gowda B Thimme, Tokarčík Miroslav, Shakuntala K, Kožíšek Jozef, Fuess Hartmut

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1529-30. doi: 10.1107/S1600536810019999.

DOI:10.1107/S1600536810019999
PMID:21587779
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006934/
Abstract

In the title compound, C(11)H(11)NO(4), the asymmetric unit contains two unique mol-ecules, both of which are almost planar, with r.m.s. deviations of 0.047 and 0.059 Å. The dihedral angles between the benzene ring and the plane of maleamic acid unit are 3.43 (5) and 5.79 (3)° in the two mol-ecules. The mol-ecular structures are stabilized by a short intra-molecular O-H⋯O hydrogen bond within each maleamic acid unit. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into zigzag chains extending along [10]. Weak intermolecular C-H⋯O hydrogen bonds also exist.

摘要

在标题化合物C₁₁H₁₁NO₄中,不对称单元包含两个独特的分子,两者均几乎呈平面状,均方根偏差分别为0.047和0.059 Å。在这两个分子中,苯环与马来酰胺酸单元平面之间的二面角分别为3.43(5)°和5.79(3)°。每个马来酰胺酸单元内的短分子内O—H⋯O氢键使分子结构得以稳定。在晶体中,分子间N—H⋯O氢键将分子连接成沿[10]方向延伸的锯齿链。还存在弱的分子间C—H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad73/3006934/d11eef463a6b/e-66-o1529-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad73/3006934/787ad6a66377/e-66-o1529-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad73/3006934/d11eef463a6b/e-66-o1529-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad73/3006934/787ad6a66377/e-66-o1529-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ad73/3006934/d11eef463a6b/e-66-o1529-fig2.jpg

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本文引用的文献

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2
N-(3,4-Dimethyl-phen-yl)maleamic acid.N-(3,4-二甲基苯基)马来酰胺酸
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 28;65(Pt 11):o2874. doi: 10.1107/S1600536809043682.
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Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 23;65(Pt 11):o2807. doi: 10.1107/S1600536809042470.
4
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.
5
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.