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3-乙酰基-1-（3-甲基苯基）-5-苯基-1H-吡唑-4-腈

3-Acetyl-1-(3-methyl-phen-yl)-5-phenyl-1H-pyrazole-4-carbonitrile.

作者信息

Abdel-Aziz Hatem A, Al-Obaid Abdul-Rahman M, Ghabbour Hazem A, Hemamalini Madhukar, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o485-6. doi: 10.1107/S160053681200181X. Epub 2012 Jan 21.

DOI:10.1107/S160053681200181X
PMID:22347089
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275233/
Abstract

In the title compound, C(19)H(15)N(3)O, the central pyrazole ring makes dihedral angles of 35.52 (12) and 62.21 (11)° with the attached phenyl and methyl-substituted phenyl rings, respectively. The corresponding angle between the phenyl and methyl-substituted phenyl rings is 62.90 (11)°. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds, forming supra-molecular chains propagating along the a-axis direction.

摘要

在标题化合物C(19)H(15)N(3)O中，中心吡唑环与相连的苯基和甲基取代的苯基环分别形成35.52 (12)°和62.21 (11)°的二面角。苯基和甲基取代的苯基环之间的相应角度为62.90 (11)°。在晶体中，分子通过弱C—H⋯O氢键相连，形成沿a轴方向延伸的超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2074/3275233/0ab2c10ed545/e-68-0o485-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2074/3275233/1b8e8d64f9b5/e-68-0o485-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2074/3275233/0ab2c10ed545/e-68-0o485-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2074/3275233/1b8e8d64f9b5/e-68-0o485-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2074/3275233/0ab2c10ed545/e-68-0o485-fig2.jpg

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