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

ABSTRACT: The title compound, C(13)H(13)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carb-oxy 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 a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.727?(2)?Å, inter-planar distance = 3.465?(2)?Å and slippage = 1.373?(2)?Å]. The crystal structure also exhibits a short S?O contact [S?O = 3.219?(2)?Å].

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3247497 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The title compound, C(13)H(13)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carb-oxy 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 a slipped π-π inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.727 (2) Å, inter-planar di ...[more]

PMID: 22220115

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