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(Z)-3-(4-氯苯基)-2-氰基-3-(2,6-二氟苯甲酰胺基)丙烯酸乙酯

(Z)-Ethyl 3-(4-chloro-phen-yl)-2-cyano-3-(2,6-difluoro-benzamido)acrylate.

作者信息

Dehua Zhang, Xiaoyan Zhang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2254. doi: 10.1107/S1600536808034818.

DOI:10.1107/S1600536808034818
PMID:21581235
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959890/
Abstract

The title compound, C(19)H(13)ClF(2)N(2)O(3), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro-phen-yl)-2-cyano-acrylate and 2,6-difluoro-benzoyl chloride. The dihedral angle between the chloro-benzene and fluoro-benzene rings is 37.0 (1)°. The ethyl group is disordered over two positions [occupancies = 0.52 (2):0.48 (2)]. In addition to intra-molecular N-H⋯O and N-H⋯F hydrogen bonds, the crystal packing shows the mol-ecules to be connected by inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.

摘要

标题化合物C(19)H(13)ClF(2)N(2)O(3)是由(Z)-3-氨基-3-(4-氯苯基)-2-氰基丙烯酸乙酯与2,6-二氟苯甲酰氯反应制备而成。氯苯环和氟苯环之间的二面角为37.0 (1)°。乙基在两个位置上无序分布[占有率 = 0.52 (2):0.48 (2)]。除了分子内的N-H⋯O和N-H⋯F氢键外,晶体堆积还显示分子通过分子间的C-H⋯O和C-H⋯N氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c2b/2959890/31d36d41a132/e-64-o2254-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c2b/2959890/648ec37cdaa7/e-64-o2254-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c2b/2959890/31d36d41a132/e-64-o2254-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c2b/2959890/648ec37cdaa7/e-64-o2254-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c2b/2959890/31d36d41a132/e-64-o2254-fig2.jpg

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本文引用的文献

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