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N-(3-氯-4-甲基苯基)琥珀酰胺酸

N-(3-Chloro-4-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 Mar 1;68(Pt 3):o835. doi: 10.1107/S1600536812007623. Epub 2012 Feb 24.

DOI:10.1107/S1600536812007623
PMID:22412697
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3297894/
Abstract

In the crystal structure of the title compound, C(11)H(12)ClNO(3), the asymmetric unit contains two independent mol-ecules. The N-H bond in the amide segment is anti to the meta-Cl atom in the benzene ring, in both molecules. The amide and carboxyl C=O bonds are also anti to each other and anti to the H atoms on the adjacent -CH(2) groups. Furthermore, the C=O and O-H bonds of the acid group are in syn positions with respect to each other. The dihedral angles between the benzene ring and the amide group are 40.6 (2) and 44.9 (3)° in the two independent molecules. In the crystal, mol-ecules are packed into sheets parallel to the (11-3) plane through O-H⋯O and N-H⋯O hydrogen bonds.

摘要

在标题化合物C(11)H(12)ClNO(3)的晶体结构中,不对称单元包含两个独立分子。在两个分子中,酰胺片段中的N-H键均与苯环上的间位Cl原子呈反式构象。酰胺和羧基的C=O键也相互呈反式构象,且与相邻-CH(2)基团上的H原子呈反式构象。此外,酸基团的C=O键和O-H键彼此处于顺式位置。在两个独立分子中,苯环与酰胺基团之间的二面角分别为40.6 (2)°和44.9 (3)°。在晶体中,分子通过O-H⋯O和N-H⋯O氢键堆积成平行于(11-3)平面的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/88e2/3297894/deb505e11448/e-68-0o835-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/88e2/3297894/ee16de48fa90/e-68-0o835-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/88e2/3297894/deb505e11448/e-68-0o835-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/88e2/3297894/ee16de48fa90/e-68-0o835-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/88e2/3297894/deb505e11448/e-68-0o835-fig2.jpg

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