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2-(5-Fluoro-3-isopropyl-sulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid.

ABSTRACT: The title compound, C(14)H(15)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropyl-sulfanyl-7-methyl-1-benzofuran-2-yl)acetate. In the crystal, mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers. These dimers are connected by weak C-H⋯O hydrogen bonds.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3343927 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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2-(5-Fluoro-3-isopropyl-sulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120303 Pt 4

The title compound, C(14)H(15)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropyl-sulfanyl-7-methyl-1-benzofuran-2-yl)acetate. In the crystal, mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers. These dimers are connected by weak C-H⋯O hydrogen bonds. ...[more]

PMID: 22590008

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

Project description: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 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].

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

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(14)H(16)O(3)S. 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 a axis by aromatic π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.430 (4) Å] and by additional C-H⋯π and C-H⋯O inter-actions.

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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-(5-Fluoro-7-methyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:The title compound, C(12)H(11)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-7-methyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers.

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

Project description:The title compound, C(13)H(13)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into dimers. These dimers are further packed into stacks along the c axis by inter-molecular C-H⋯π inter-actions, and by slipped π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.472 (2) Å, inter-planar distance = 3.398 (2) Å and slippage = 0.713 (2) Å].

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

Project description:In the title compound, C(19)H(24)O(3)S, the cylohexyl ring adopts a chair conformation. In the crystal, molecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers. These dimers are further stabilized by weak inter-molecular C-H⋯π inter-actions, and by slipped π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.557 (2) Å, inter-planar distance = 3.301 (2) Å and slippage = 1.325 (2) Å].

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

Project description: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 = 3.684 (5) Å].

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2-(6,7-Dimethyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:In the title compound, C(13)H(14)O(3)S, the methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [80.5 (9)°]. The carboxylic acid 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 a axis by C-H⋯π inter-actions.

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2-(3-Methyl-sulfanyl-5-propyl-1-benzofuran-2-yl)acetic acid.

Project description:The title compound, C(14)H(16)O(3)S, was prepared by alkaline hydrolysis of ethyl 2-(3-methyl-sulfanyl-5-propyl-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 a axis by weak C-H⋯π inter-actions.

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2-(5,7-Dimethyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:The title compound, C(13)H(14)O(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5,7-dimethyl-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 a axis by weak C-H⋯π inter-actions.

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