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2-（5-氟-3-甲基硫烷基-1-苯并呋喃-2-基）乙酸

2-(5-Fluoro-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

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. 2009 Jul 11;65(Pt 8):o1813. doi: 10.1107/S160053680902594X.

DOI:10.1107/S160053680902594X
PMID:21583516
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977173/
Abstract

The title compound, C(11)H(9)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal structure, the carboxyl groups are involved in inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further packed into stacks along the b axis by inter-molecular C-H⋯O and C-H⋯F inter-actions.

摘要

标题化合物C(11)H(9)FO(3)S是通过2-(5-氟-3-甲基硫基-1-苯并呋喃-2-基)乙酸乙酯的碱性水解制备的。在晶体结构中，羧基参与分子间O-H⋯O氢键，将分子连接成中心对称的二聚体。这些二聚体通过分子间C-H⋯O和C-H⋯F相互作用进一步沿b轴堆积成堆叠结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcda/2977173/f92fad3d8ae8/e-65-o1813-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcda/2977173/9600d630fc46/e-65-o1813-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcda/2977173/f92fad3d8ae8/e-65-o1813-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcda/2977173/9600d630fc46/e-65-o1813-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcda/2977173/f92fad3d8ae8/e-65-o1813-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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