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（4Z）-4- [（4-氯苯胺基）（苯基）亚甲基] -3-甲基-1-苯基-1H-吡唑-5（4H）-酮

(4Z)-4-[(4-Chloro-anilino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

作者信息

Chi Xiaodong, Xiao Jing, Yin Yuhong, Xia Min

机构信息

Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou 310018, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 24;66(Pt 1):o249. doi: 10.1107/S1600536809054816.

DOI:10.1107/S1600536809054816
PMID:21580130
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980146/
Abstract

The title compound, C(23)H(18)ClN(3)O, was synthesized by the reaction of 4-chloro-aniline and 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one. The terminal benzene rings are twisted at dihedral angles of 48.3 (2), 71.4 (2) and 36.1 (2)° with respect to the central eight-atom methyl-pyrazolone/amino-methyl-ene unit. An intra-molecular N-H⋯O hydrogen bond stabilizes the planar conformation [mean deviation = 0.0398 (5) Å] of the central unit, generating an S(6) ring motif. The crystal packing is stabilized by van der Waals forces.

摘要

标题化合物C(23)H(18)ClN(3)O是由4-氯苯胺与4-苯甲酰基-3-甲基-1-苯基-1H-吡唑-5(4H)-酮反应合成的。末端苯环相对于中心八原子甲基吡唑酮/氨基亚甲基单元的二面角分别为48.3 (2)°、71.4 (2)°和36.1 (2)°。分子内N-H⋯O氢键稳定了中心单元的平面构象[平均偏差 = 0.0398 (5) Å]，形成了一个S(6)环模式。晶体堆积通过范德华力得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/616d/2980146/1f292112f359/e-66-0o249-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/616d/2980146/1f292112f359/e-66-0o249-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/616d/2980146/1f292112f359/e-66-0o249-fig1.jpg

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