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5-环己基-2-甲基-3-(3-甲基苯基亚磺酰基)-1-苯并呋喃

5-Cyclo-hexyl-2-methyl-3-(3-methyl-phenyl-sulfin-yl)-1-benzo-furan.

作者信息

Choi Hong Dae, Lee Uk

机构信息

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

Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 May 21;70(Pt 6):o690. doi: 10.1107/S1600536814011192. eCollection 2014 Jun 1.

DOI:10.1107/S1600536814011192
PMID:24940267
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4051005/
Abstract

In the title compound, C22H24O2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl moieties is 86.48 (4)°. In the crystal, mol-ecules are connected along the a-axis direction by two different inversion-generated pairs of C-H⋯π and C-H⋯O inter-actions.

摘要

在标题化合物C₂₂H₂₄O₂S中，环己基环呈椅式构象。苯并呋喃和3-甲基苯基部分的平均平面之间的二面角为86.48 (4)°。在晶体中，分子沿a轴方向通过两种不同的由反演产生的C-H⋯π和C-H⋯O相互作用对相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca1a/4051005/ab84bed9cad4/e-70-0o690-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca1a/4051005/2ba77030f0b3/e-70-0o690-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca1a/4051005/ab84bed9cad4/e-70-0o690-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca1a/4051005/2ba77030f0b3/e-70-0o690-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca1a/4051005/ab84bed9cad4/e-70-0o690-fig2.jpg

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本文引用的文献

1
3-(3-Bromo-phenyl-sulfin-yl)-5-cyclo-hexyl-2-methyl-1-benzo-furan.
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 15;70(Pt 3):o309. doi: 10.1107/S160053681400316X. eCollection 2014 Mar 1.
2
5-Cyclo-hexyl-3-(3-fluoro-phenyl-sulfin-yl)-2-methyl-1-benzo-furan.5-环己基-3-(3-氟苯基亚磺酰基)-2-甲基-1-苯并呋喃
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):o1026. doi: 10.1107/S160053681301475X. eCollection 2013.
3
5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.5-环己基-2-甲基-3-(4-甲基苯基亚磺酰基)-1-苯并呋喃
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o947. doi: 10.1107/S1600536812008409. Epub 2012 Mar 3.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.