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4-[(Z)-烯丙基-氨基-(苯基)亚甲基]-3-甲基-1-苯基-1H-吡唑-5(4H)-酮

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

作者信息

Xu Hai-Zhen, Yang Yan-Xia, Yan Jing, Zhu You-Quan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 12;66(Pt 6):o1309. doi: 10.1107/S160053681001384X.

DOI:10.1107/S160053681001384X
PMID:21579404
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979603/
Abstract

The title compound, C(20)H(19)N(3)O, exists in a keto-enamine tautomeric form. The pyrazolone ring makes dihedral angles of 20.52 (10) and 77.73 (5)° with the two phenyl rings and an intra-molecular N-H⋯O hydrogen bond occurs. A weak inter-molecular C-H⋯O hydrogen bond is observed in the crystal structure. The allyl group is disordered over two positions, with site-occupancy factors of 0.533 (5) and 0.467 (5).

摘要

标题化合物C(20)H(19)N(3)O以酮-烯胺互变异构形式存在。吡唑啉酮环与两个苯环的二面角分别为20.52 (10)°和77.73 (5)°，并存在分子内N-H⋯O氢键。在晶体结构中观察到一个弱的分子间C-H⋯O氢键。烯丙基在两个位置上无序，占位因子分别为0.533 (5)和0.467 (5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c1d/2979603/528c887048dd/e-66-o1309-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c1d/2979603/0dadf09b168d/e-66-o1309-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c1d/2979603/528c887048dd/e-66-o1309-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c1d/2979603/0dadf09b168d/e-66-o1309-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c1d/2979603/528c887048dd/e-66-o1309-fig2.jpg

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本文引用的文献

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