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1-(4-溴-苯基-亚磺酰基)-2-甲基-萘并-[2,1-b]呋喃

1-(4-Bromo-phenyl-sulfin-yl)-2-methyl-naphtho-[2,1-b]furan.

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):o1246. doi: 10.1107/S1600536812012603. Epub 2012 Mar 31.

DOI:10.1107/S1600536812012603
PMID:22606178
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344175/
Abstract

In the title compound, C(19)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 83.75 (4)° with the mean plane of the naphtho-furan fragment [r.m.s. deviation = 0.024 (2) Å]. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers. These dimers are connected by weak π-π inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.483 (2) Å, inter-planar distance = 3.416 (2) Å and slippage = 0.680 (2) Å].

摘要

在标题化合物C(19)H(13)BrO(2)S中,4-溴苯基环与萘并呋喃片段的平均平面形成83.75 (4)°的二面角[r.m.s.偏差 = 0.024 (2) Å]。在晶体中,分子通过C-H⋯O氢键对相连,形成反演二聚体。这些二聚体通过相邻分子的中心萘并呋喃苯环之间的弱π-π相互作用相连[质心-质心距离 = 3.483 (2) Å,平面间距离 = 3.416 (2) Å,滑移 = 0.680 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7471/3344175/20acfc9dc0fc/e-68-o1246-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7471/3344175/d2b1be517c14/e-68-o1246-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7471/3344175/20acfc9dc0fc/e-68-o1246-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7471/3344175/d2b1be517c14/e-68-o1246-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7471/3344175/20acfc9dc0fc/e-68-o1246-fig2.jpg

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本文引用的文献

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2
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.