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苯基（2,4,5-三苯基环戊-1,4-二烯-1-基）甲酮

Phen-yl(2,4,5-triphenyl-cyclo-penta-1,4-dien-1-yl)methanone.

作者信息

Cordes David B, Hua Guoxiong, Slawin Alexandra M Z, Woollins J Derek

机构信息

School of Chemistry, University of St Andrews, Fife KY16 9ST, Scotland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1718. doi: 10.1107/S1600536811022902. Epub 2011 Jun 18.

DOI:10.1107/S1600536811022902
PMID:21837110
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152139/
Abstract

The title compound, C(30)H(22)O, does not form face-to-face π-π inter-actions despite the presence of four phenyl rings within the compound. Instead weak C-H⋯π inter-actions occur between adjacent mol-ecules, with C⋯C contact distances in the range 3.633 (4)-3.974 (4) Å. The ketone O atom also takes part in a weak C-H⋯O inter-action. The three pendant phenyl rings are twisted relative to the central cyclopentadiene ring by 17.82 (17), 29.63 (14) and 61.57 (9)°, while the phenylmethanone is nearly orthogonal, the angle between planes being 87.77 (9)°.

摘要

标题化合物C(30)H(22)O尽管分子内存在四个苯环，但并未形成面对面的π-π相互作用。相反，相邻分子之间存在弱的C-H⋯π相互作用，C⋯C接触距离在3.633 (4)-3.974 (4) Å范围内。酮O原子也参与了弱的C-H⋯O相互作用。三个悬垂苯环相对于中心环戊二烯环扭转的角度分别为17.82 (17)°、29.63 (14)°和61.57 (9)°，而苯甲酮几乎呈正交，平面间夹角为87.77 (9)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df3b/3152139/8883d8161841/e-67-o1718-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df3b/3152139/8883d8161841/e-67-o1718-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df3b/3152139/8883d8161841/e-67-o1718-fig1.jpg

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