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（Z）-3-[双-（4-氯-3-乙基-1-甲基-1H-吡唑-5-基羰基）氨基]-3-（4-氯苯基）-2-氰基丙酸乙酯

(Z)-Ethyl 3-[bis-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl-carbon-yl)amino]-3-(4-chloro-phen-yl)-2-cyano-propanoate.

作者信息

Zhang Dehua, Zhang Xiaoyan, Guo Lijuan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 28;65(Pt 4):o887. doi: 10.1107/S1600536809008988.

DOI:10.1107/S1600536809008988
PMID:21582596
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968925/
Abstract

The title compound, C(26)H(25)Cl(3)N(6)O(4), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro-phen-yl)-2-cyano-acrylate and 4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carbonyl chloride. The dihedral angles between the chloro-benzene and the two pyrazole rings are 59.8 (2) and 33.3 (2)°. The two pyrazole rings are oriented to each other at a dihedral angle of 84.7 (2)°. The crystal packing is governed by inter-molecular C-H⋯O inter-actions, resulting in a three-dimensional network. The ethyl groups are disordered over two positions, with site-occupancy factors of 0.71/0.29 and 0.51/0.49.

摘要

标题化合物C(26)H(25)Cl(3)N(6)O(4)是由(Z)-3-氨基-3-(4-氯苯基)-2-氰基丙烯酸乙酯与4-氯-3-乙基-1-甲基-1H-吡唑-5-甲酰氯反应制备而成。氯苯与两个吡唑环之间的二面角分别为59.8 (2)°和33.3 (2)°。两个吡唑环之间的二面角为84.7 (2)°。晶体堆积由分子间C-H⋯O相互作用主导，形成三维网络。乙基在两个位置上无序分布，占位因子分别为0.71/0.29和0.51/0.49。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfcb/2968925/8bffa5e691c9/e-65-0o887-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfcb/2968925/1122fdd1e88c/e-65-0o887-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfcb/2968925/8bffa5e691c9/e-65-0o887-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfcb/2968925/1122fdd1e88c/e-65-0o887-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfcb/2968925/8bffa5e691c9/e-65-0o887-fig2.jpg

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本文引用的文献

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