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5-（4-氯苯基）-1-（2,4-二氯苯基）-4-甲基-N-（3-吡啶甲基）-1H-吡唑-3-甲酰胺

5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-N-(3-pyridylmeth-yl)-1H-pyrazole-3-carboxamide.

作者信息

He Xinhua, Zhong Wu, Xiao Junhai, Zheng Zhibing, Li Song

机构信息

Beijing Institute of Pharmacology and Toxicology, Beijing 100850, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 18;65(Pt 5):o1077. doi: 10.1107/S1600536809013609.

DOI:10.1107/S1600536809013609
PMID:21583892
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977756/
Abstract

In the title compound, C(23)H(17)Cl(3)N(4)O, the benzene rings are oriented with respect to the pyrazole ring at dihedral angles of 39.9 (2) and 72.90 (13)° for the chloro-phenyl and di-chloro-phenyl rings, respectively. Inter-molecular C-H⋯N and C-H⋯Cl inter-actions are observed in the crystal packing.

摘要

在标题化合物C₂₃H₁₇Cl₃N₄O中，苯环相对于吡唑环的取向，氯苯基环和二氯苯基环的二面角分别为39.9 (2)°和72.90 (13)°。在晶体堆积中观察到分子间的C—H⋯N和C—H⋯Cl相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/473b/2977756/84b080d10e3b/e-65-o1077-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/473b/2977756/e23fdc3028eb/e-65-o1077-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/473b/2977756/84b080d10e3b/e-65-o1077-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/473b/2977756/e23fdc3028eb/e-65-o1077-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/473b/2977756/84b080d10e3b/e-65-o1077-fig2.jpg

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