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5-溴-2-甲基-3-(3-甲基苯基亚磺酰基)-1-苯并呋喃

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

作者信息

Choi Hong Dae, Seo Pil Ja, 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 Feb 19;70(Pt 3):o320. doi: 10.1107/S1600536814003365. eCollection 2014 Mar 1.

DOI:10.1107/S1600536814003365
PMID:24765019
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998384/
Abstract

In the title compound, C16H13BrO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.012 (1) Å] of the benzo-furan ring system and the 3-methyl-phenyl ring is 84.83 (4)°. In the crystal, mol-ecules are linked via pairs of Br⋯O [3.240 (1) Å] contacts, forming inversion dimers. These dimers are linked by C-H⋯π inter-actions, forming a three-dimensional network.

摘要

在标题化合物C₁₆H₁₃BrO₂S中,苯并呋喃环系的平均平面(均方根偏差 = 0.012 (1) Å)与3-甲基苯基环之间的二面角为84.83 (4)°。在晶体中,分子通过Br⋯O对[3.240 (1) Å]接触相连,形成反演二聚体。这些二聚体通过C-H⋯π相互作用相连,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1398/3998384/9734d9d3b1c4/e-70-0o320-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1398/3998384/a23969ef4a39/e-70-0o320-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1398/3998384/9734d9d3b1c4/e-70-0o320-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1398/3998384/a23969ef4a39/e-70-0o320-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1398/3998384/9734d9d3b1c4/e-70-0o320-fig2.jpg

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本文引用的文献

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5-Bromo-3-(3-fluoro-phenyl-sulfin-yl)-2-methyl-1-benzofuran.5-溴-3-(3-氟苯基亚磺酰基)-2-甲基-1-苯并呋喃
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2491. doi: 10.1107/S1600536812032394. Epub 2012 Jul 18.
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