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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...

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Detalles Bibliográficos
Autores principales: Seo, Pil Ja, Choi, Hong Dae, Son, Byeng Wha, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
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author Seo, Pil Ja
Choi, Hong Dae
Son, Byeng Wha
Lee, Uk
author_facet Seo, Pil Ja
Choi, Hong Dae
Son, Byeng Wha
Lee, Uk
author_sort Seo, Pil Ja
collection PubMed
description 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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spelling pubmed-32474972012-01-04 2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid Seo, Pil Ja Choi, Hong Dae Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers 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]. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247497/ /pubmed/22220115 http://dx.doi.org/10.1107/S1600536811044436 Text en © Seo et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Seo, Pil Ja
Choi, Hong Dae
Son, Byeng Wha
Lee, Uk
2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title 2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_full 2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_fullStr 2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_full_unstemmed 2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_short 2-(5-Fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_sort 2-(5-fluoro-3-isopropyl­sulfanyl-1-benzofuran-2-yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247497/
https://www.ncbi.nlm.nih.gov/pubmed/22220115
http://dx.doi.org/10.1107/S1600536811044436
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