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2-(5-Fluoro-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid
The title compound, C(13)H(13)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropylsulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxy groups are involved in intermolecular O—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247497/ https://www.ncbi.nlm.nih.gov/pubmed/22220115 http://dx.doi.org/10.1107/S1600536811044436 |
Sumario: | The title compound, C(13)H(13)FO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropylsulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxy groups are involved in intermolecular O—H⋯O hydrogen bonds, which link the molecules into centrosymmetric dimers. These dimers are further packed into stacks along the b axis by a slipped π–π interaction between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.727 (2) Å, interplanar 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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