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2-(3-Ethyl-sulfanyl-5-fluoro-1-benzofuran-2-yl)acetic acid.

ABSTRACT: The title compound, C(12)H(11)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(3-ethyl-sulfan-yl-5-fluoro-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 aromatic ?-? inter-actions between the furan ring and the benzene ring of neighbouring benzofuran ring systems [centroid-centroid distance = 3.684?(5)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC2970325 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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2-(3-Ethyl-sulfanyl-5-fluoro-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 20090916 Pt 10

The title compound, C(12)H(11)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(3-ethyl-sulfan-yl-5-fluoro-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 aromatic π-π inter-actions between the furan ring and the benzene ring of neighbouring benzofuran ring systems [centroid-centroid distance ...[more]

PMID: 21577933

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

Project description: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.

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2-(3-Ethyl-sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid.

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

Project description: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.

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