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

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

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Malladi Shridhar, Isloor Arun M, Shivananda Kammasandra N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3104. doi: 10.1107/S1600536811044424. Epub 2011 Oct 29.

Abstract

In the title mol-ecule, C(24)H(15)BrCl(2)N(2)O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromo-benzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. 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 C-H⋯O hydrogen bonds, generating R(2) (2)(14) loops. The crystal structure is further consolidated by C-H⋯π inter-actions.

摘要

在标题分子C(24)H(15)BrCl(2)N(2)O中,吡唑环与其N键合的苯基(A)环和C键合的溴苯(B)环之间的二面角分别为10.34 (16)°和40.95 (15)°。环A和B之间的二面角为56.89 (17)°。标题分子相对于无环C=C键呈反式构象。在晶体中,分子通过成对的C-H⋯O氢键连接成反向二聚体,形成R(2) (2)(14)环。晶体结构通过C-H⋯π相互作用进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f0a0/3247489/8ea596a7a6b8/e-67-o3104-fig1.jpg

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