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1-环己基亚磺酰基-2-甲基萘并-[2,1-b]呋喃

1-Cyclo-hexyl-sulfinyl-2-methyl-naphtho-[2,1-b]furan.

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):o1002. doi: 10.1107/S1600536811010981. Epub 2011 Mar 31.

DOI:10.1107/S1600536811010981
PMID:21754023
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3100045/
Abstract

In the title compound, C(19)H(20)O(2)S, the cyclo-hexyl ring adopts a chair conformation and the aryl-sulfinyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds. The O atom of the sulfinyl group is disordered over two orientations with site-occupancy factors of 0.923 (3) and 0.077 (3).

摘要

在标题化合物C(19)H(20)O(2)S中,环己基环呈椅式构象,芳基亚磺酰基单元相对于环己基处于平伏位置。在晶体中,分子通过弱的分子间C-H⋯O氢键相连。亚磺酰基的O原子在两个取向间无序,占位因子分别为0.923 (3)和0.077 (3)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0c3a/3100045/4ca42cb0520f/e-67-o1002-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0c3a/3100045/c6dc75ede51e/e-67-o1002-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0c3a/3100045/4ca42cb0520f/e-67-o1002-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0c3a/3100045/c6dc75ede51e/e-67-o1002-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0c3a/3100045/4ca42cb0520f/e-67-o1002-fig2.jpg

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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.
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Synthesis and antitumor evaluation of some new substituted amidino-benzimidazolyl-furyl-phenyl-acrylates and naphtho[2,1-b]furan-carboxylates.一些新型取代脒基-苯并咪唑基-呋喃基-苯基丙烯酸酯和萘并[2,1-b]呋喃羧酸酯的合成与抗肿瘤评价
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