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2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid

In the title compound, C(17)H(20)O(3)S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, the carboxyl groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into centrosymmetric dimers. These dimers are further stabilized by weak inter­molecular C—H⋯O...

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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/PMC3212340/
https://www.ncbi.nlm.nih.gov/pubmed/22090997
http://dx.doi.org/10.1107/S1600536811026298
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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 In the title compound, C(17)H(20)O(3)S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, the carboxyl groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into centrosymmetric dimers. These dimers are further stabilized by weak inter­molecular C—H⋯O hydrogen bonds. In addition, the crystal structure also exhibits aromatic π–π inter­actions between the furan rings of adjacent mol­ecules [centroid–centroid distance = 3.505 (2) Å, inter­planar distance = 3.385 (2) Å and slippage = 0.909 (2) Å], and inter­molecular C—H⋯π inter­actions.
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spelling pubmed-32123402011-11-16 2-(5-Cyclo­hexyl-3-methyl­sulfanyl-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 In the title compound, C(17)H(20)O(3)S, the cyclo­hexyl ring adopts a chair conformation. In the crystal, the carboxyl groups are involved in inter­molecular O—H⋯O hydrogen bonds, which link the mol­ecules into centrosymmetric dimers. These dimers are further stabilized by weak inter­molecular C—H⋯O hydrogen bonds. In addition, the crystal structure also exhibits aromatic π–π inter­actions between the furan rings of adjacent mol­ecules [centroid–centroid distance = 3.505 (2) Å, inter­planar distance = 3.385 (2) Å and slippage = 0.909 (2) Å], and inter­molecular C—H⋯π inter­actions. International Union of Crystallography 2011-07-09 /pmc/articles/PMC3212340/ /pubmed/22090997 http://dx.doi.org/10.1107/S1600536811026298 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-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title 2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_full 2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_fullStr 2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_full_unstemmed 2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_short 2-(5-Cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_sort 2-(5-cyclo­hexyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212340/
https://www.ncbi.nlm.nih.gov/pubmed/22090997
http://dx.doi.org/10.1107/S1600536811026298
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