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5-环己基-2-甲基-3-(4-甲基苯基磺酰基)-1-苯并呋喃

5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

作者信息

Choi Hong Dae, Seo Pil Ja, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1068. doi: 10.1107/S1600536812010434. Epub 2012 Mar 14.

DOI:10.1107/S1600536812010434
PMID:22589935
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344026/
Abstract

In the title compound, C(22)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 80.95 (4)° with the mean plane [mean deviation = 0.011 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions.

摘要

在标题化合物C₂₂H₂₄O₃S中，环己基环呈椅式构象。4-甲基苯基环与苯并呋喃片段的平均平面[平均偏差 = 0.011 (1) Å]的二面角为80.95 (4)°。在晶体中，分子通过弱C-H⋯O和C-H⋯π相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/39d29aea3d4f/e-68-o1068-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/e02e6cf70a2f/e-68-o1068-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/0700fd95ae62/e-68-o1068-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/39d29aea3d4f/e-68-o1068-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/e02e6cf70a2f/e-68-o1068-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/0700fd95ae62/e-68-o1068-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f91/3344026/39d29aea3d4f/e-68-o1068-fig3.jpg

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