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1-（1,5-二苯基-4-苯基磺酰基-1H-吡唑-3-基）乙酮

1-(1,5-Diphenyl-4-phenyl-sulfonyl-1H-pyrazol-3-yl)ethanone.

作者信息

Fun Hoong-Kun, Quah Ching Kheng, Abdel-Aziz Hatem A, Ghabbour Hazem A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2725. doi: 10.1107/S1600536812035027. Epub 2012 Aug 15.

DOI:10.1107/S1600536812035027
PMID:22969609
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435738/
Abstract

The asymmetric unit of the title compound, C(23)H(18)N(2)O(3)S, contains two mol-ecules with comparable geometries. In one mol-ecule, the pyrazole ring forms dihedral angles of 61.65 (11), 47.88 (11) and 63.20 (14)° with the three benzene rings. The corresponding values for the other mol-ecule are 77.19 (11), 43.55 (11) and 63.56 (15)°. In the crystal, both mol-ecules are linked into inversion dimers by pairs of C-H⋯S hydrogen bonds, generating R(2) (2)(14) loops in each case.

摘要

标题化合物C(23)H(18)N(2)O(3)S的不对称单元包含两个几何结构相近的分子。在一个分子中，吡唑环与三个苯环形成的二面角分别为61.65 (11)°、47.88 (11)°和63.20 (14)°。另一个分子的相应值为77.19 (11)°、43.55 (11)°和63.56 (15)°。在晶体中，两个分子均通过C—H⋯S氢键对连接成反演二聚体，每种情况下均形成R(2) (2)(14)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c07/3435738/531b8ce9ac85/e-68-o2725-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c07/3435738/a43f0b8d10cb/e-68-o2725-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c07/3435738/531b8ce9ac85/e-68-o2725-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c07/3435738/a43f0b8d10cb/e-68-o2725-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c07/3435738/531b8ce9ac85/e-68-o2725-fig2.jpg

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