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

ABSTRACT: The title compound, C(11)H(9)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-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 c axis by weak C-H?? inter-actions. In addition, the stacked mol-ecules exhibit a Br?S inter-action of 3.4787?(7)?Å.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2968485 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Seo Pil Ja PJ Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20090221 Pt 3

The title compound, C(11)H(9)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-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 c axis by weak C-H⋯π inter-actions. In addition, the stacked mol-ecules exhibit a Br⋯S inter-action of 3.4787 (7) Å. ...[more]

PMID: 21582220

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