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2-(5-碘-3-甲基亚磺酰基-1-苯并呋喃-2-基)乙酸异丙酯

Isopropyl 2-(5-iodo-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

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. 2008 Nov 20;64(Pt 12):o2384. doi: 10.1107/S1600536808037471.

DOI:10.1107/S1600536808037471
PMID:21581355
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960084/
Abstract

In the title compound, C(14)H(15)IO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by C-H⋯π inter-actions between a methyl H atom and the benzene ring of an adjacent mol-ecule, and by weak inter-molecular C-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₄H₁₅IO₄S中,甲基亚砜取代基的O原子和甲基位于苯并呋喃片段平面的相对两侧。晶体结构通过甲基H原子与相邻分子的苯环之间的C-H⋯π相互作用以及弱的分子间C-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a7f/2960084/cf46c69f4486/e-64-o2384-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a7f/2960084/d5d0fc58ad8d/e-64-o2384-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a7f/2960084/cf46c69f4486/e-64-o2384-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a7f/2960084/d5d0fc58ad8d/e-64-o2384-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2a7f/2960084/cf46c69f4486/e-64-o2384-fig2.jpg

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2
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A short history of SHELX.SHELX简史。
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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.