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

ABSTRACT: In the title compound, C(11)H(9)BrO(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 inter-molecular O-H?O and C-H?O inter-actions. In addition, the crystal structure exhibits a Br?? inter-action of 3.551?(3)?Å between the Br atom and the centroid of the benzene ring of an adjacent mol-ecule.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2968847 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-(5-Bromo-3-methyl-sulfinyl-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 20090311 Pt 4

In the title compound, C(11)H(9)BrO(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 inter-molecular O-H⋯O and C-H⋯O inter-actions. In addition, the crystal structure exhibits a Br⋯π inter-action of 3.551 (3) Å between the Br atom and the centroid of the benzene ring of an adjacent mol-ecule. ...[more]

PMID: 21582461

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