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（E）-1-（2,4-二氯苯基）-3-[3-（4-甲氧基苯基）-1-苯基-1H-吡唑-4-基]丙-2-烯-1-酮

(E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Malladi Shridhar, Hebbar Raghavendra, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3105. doi: 10.1107/S1600536811044400. Epub 2011 Oct 29.

DOI:10.1107/S1600536811044400
PMID:22220108
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247490/
Abstract

In the title mol-ecule, C(25)H(18)Cl(2)N(2)O(2), the dihedral angles between the pyrazole ring and its N- and C-bonded benzene rings are 8.28 (11) and 40.89 (10)°, respectively. The dihedral angle between the benzene rings is 39.03 (11)°. The title mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol-ecules are linked into inversion dimers by pairs of inter-molecular C-H⋯O hydrogen bonds, generating R(2) (2)(14) loops.

摘要

在标题分子C(25)H(18)Cl(2)N(2)O(2)中，吡唑环与其N键合和C键合的苯环之间的二面角分别为8.28 (11)°和40.89 (10)°。苯环之间的二面角为39.03 (11)°。标题分子相对于无环C=C键以反式构象存在。在晶体中，分子通过分子间C-H⋯O氢键对连接成反演二聚体，形成R(2) (2)(14)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e104/3247490/a952efc9619e/e-67-o3105-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e104/3247490/909305132ad2/e-67-o3105-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e104/3247490/a952efc9619e/e-67-o3105-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e104/3247490/909305132ad2/e-67-o3105-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e104/3247490/a952efc9619e/e-67-o3105-fig2.jpg

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