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3-[(E)-3-(4-甲氧基苯基)丙-2-烯酰基]-1-(4-甲基苯基)-5-苯基-1H-吡唑-4-甲腈

3-[(E)-3-(4-Meth-oxy-phen-yl)prop-2-eno-yl]-1-(4-methyl-phen-yl)-5-phenyl-1H-pyrazole-4-carbonitrile.

作者信息

Abdel-Aziz Hatem A, Bari Ahmed, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 23;67(Pt 3):o694. doi: 10.1107/S1600536811005770.

DOI:10.1107/S1600536811005770
PMID:21522439
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052011/
Abstract

In the title compound, C(27)H(21)N(3)O(2), the non-H atoms of the meth-oxy-phenyl-acryloyl substitutent of the pyrazolyl ring are almost co-planar (r.m.s. deviation = 0.070 Å), and the mean plane is twisted by 18.7 (1)° with respect to the pyrazolyl ring. The phenyl and tolyl substituents are aligned at 48.9 (1) and 44.5 (1)° with respect to the pyrazolyl ring. Weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonding is present in the crystal structure.

摘要

在标题化合物C(27)H(21)N(3)O(2)中，吡唑环上甲氧基苯基丙烯酰取代基的非氢原子几乎共面（均方根偏差 = 0.070 Å），且平均平面相对于吡唑环扭转了18.7 (1)°。苯基和甲苯基取代基相对于吡唑环的排列角度分别为48.9 (1)°和44.5 (1)°。晶体结构中存在弱的分子间C—H⋯O和C—H⋯N氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a06d/3052011/9ae6e2a25287/e-67-0o694-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a06d/3052011/9ae6e2a25287/e-67-0o694-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a06d/3052011/9ae6e2a25287/e-67-0o694-fig1.jpg

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