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5-环戊基-3-甲基亚磺酰基-2-苯基-1-苯并呋喃

5-Cyclo-pentyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

作者信息

Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o1000. doi: 10.1107/S1600536811010920. Epub 2011 Mar 31.

DOI:10.1107/S1600536811010920
PMID:21754021
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3099988/
Abstract

In the title compound, C(20)H(20)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The phenyl ring makes a dihedral angle of 32.36 (9)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak C-H⋯O inter-actions. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site occupancy factors of 0.675 (8) and 0.325 (8).

摘要

在标题化合物C₂₀H₂₀O₂S中,环戊基环呈信封式构象,其瓣原子与苯并呋喃残基相连。苯环与苯并呋喃片段的平均平面形成的二面角为32.36 (9)°。在晶体中,分子通过弱C—H⋯O相互作用相连。在环戊基环中,两个相邻的C原子在两组位置上无序分布,占位因子分别为0.675 (8)和0.325 (8)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f1d6/3099988/959422b84798/e-67-o1000-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f1d6/3099988/959422b84798/e-67-o1000-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f1d6/3099988/959422b84798/e-67-o1000-fig1.jpg

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