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(E)-1-(萘-1-基)-3-(1-苯基-1H-吡唑-4-基)丙-2-烯-1-酮

(E)-1-(Naphthalen-1-yl)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

作者信息

Asiri Abdullah M, Al-Youbi Abdulrahman O, Faidallah Hassan M, Alamry Khalid A, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2550. doi: 10.1107/S1600536811035124. Epub 2011 Sep 3.

Abstract

In the title mol-ecule, C(22)H(16)N(2)O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8 (2)°]; the central ring is connected to the naphthyl ring through a -CH=CH-C(=O)- fragment, whose C=C double bond has an E configuration. The pyrazole ring and naphthalene ring system are twisted by 46.3 (1)°. Weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules, forming supra-molecular chains running along the a axis. The crystal studied was a non-merohedral twin with a component ratio of 0.544 (2):0.456 (2).

摘要

在标题分子C₂₂H₁₆N₂O中,苯环相对于中心吡唑环平面略有扭曲[二面角 = 14.8 (2)°];中心环通过-CH=CH-C(=O)-片段与萘环相连,其C=C双键具有E构型。吡唑环与萘环体系扭曲了46.3 (1)°。弱分子间C-H⋯O氢键连接分子,形成沿a轴延伸的超分子链。所研究的晶体为非镜像孪晶,组分比为0.544 (2):0.456 (2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9a18/3201529/49435cacf624/e-67-o2550-fig1.jpg

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