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5-环戊基-2-(4-甲基苯基)-3-甲基亚磺酰基-1-苯并呋喃

5-Cyclo-pentyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

作者信息

Choi Hong Dae, Seo Pil Ja, Lee Uk

机构信息

Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3124. doi: 10.1107/S1600536812042249. Epub 2012 Oct 13.

DOI:10.1107/S1600536812042249
PMID:23284449
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3515229/
Abstract

In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008 (2) Å. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions, forming inversion dimers. In the ring of the 4-methyl-phenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899 (5) and 0.10.

摘要

在标题化合物C₂₁H₂₂O₂S中,环戊基环呈信封式构象,其瓣状原子与苯并呋喃残基相连。苯并呋喃单元基本呈平面状,由九个组成环原子定义的最小二乘平面的平均偏差为0.008 (2) Å。在晶体中,分子通过C—H⋯π相互作用对相连,形成反演二聚体。在4-甲基苯基的环中,四个C原子及其连接的H原子在两组位置上无序分布,占位因子分别为0.899 (5) 和0.10。

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本文引用的文献

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2
5-Cyclo-pentyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.5-环戊基-3-甲基亚磺酰基-2-苯基-1-苯并呋喃
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o1000. doi: 10.1107/S1600536811010920. Epub 2011 Mar 31.
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