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5-碘-7-甲基-2-(4-甲基苯基)-3-甲基亚磺酰基-1-苯并呋喃

5-Iodo-7-methyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-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 Jan 22;70(Pt 2):o178. doi: 10.1107/S1600536814000865. eCollection 2014 Feb 1.

DOI:10.1107/S1600536814000865
PMID:24764893
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998332/
Abstract

In the title compound, C17H15IO2S, the dihedral angle between the benzofuran group (r.m.s. deviation = 0.009 Å) and the 4-methylbenzene ring is 12.69 (5)°. In the crystal, mol-ecules are linked via pairs of I⋯O [I⋯O = 3.164 (1) Å, C-I⋯O = 166.63 (5)°] contacts into inversion-related dimers.

摘要

在标题化合物C₁₇H₁₅IO₂S中,苯并呋喃基团(均方根偏差 = 0.009 Å)与4-甲基苯环之间的二面角为12.69 (5)°。在晶体中,分子通过成对的I⋯O [I⋯O = 3.164 (1) Å,C-I⋯O = 166.63 (5)°] 接触连接成与反演相关的二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/14f3/3998332/f07513ce79da/e-70-0o178-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/14f3/3998332/f07513ce79da/e-70-0o178-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/14f3/3998332/f07513ce79da/e-70-0o178-fig1.jpg

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