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2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid

The title compound, C(18)H(16)O(3)S, crystallizes with two symmetry-independent mol­ecules in the asymmetric unit. The phenyl rings are rotated out of the benzofuran planes, making dihedral angles of 43.38 (7) and 56.13 (6)° in the two mol­ecules. The carboxyl groups are involved in inversion-relate...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970066/
https://www.ncbi.nlm.nih.gov/pubmed/21577613
http://dx.doi.org/10.1107/S160053680903253X
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author Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_facet Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description The title compound, C(18)H(16)O(3)S, crystallizes with two symmetry-independent mol­ecules in the asymmetric unit. The phenyl rings are rotated out of the benzofuran planes, making dihedral angles of 43.38 (7) and 56.13 (6)° in the two mol­ecules. The carboxyl groups are involved in inversion-related 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 weak non-classical inter­molecular C—H⋯O hydrogen bonds. The crystal structure also exhibits inter­molecular C—H⋯π inter­actions, and two aromatic π–π inter­actions between the furan rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.500 (3) and 3.605 (3) Å.
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spelling pubmed-29700662010-12-30 2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(16)O(3)S, crystallizes with two symmetry-independent mol­ecules in the asymmetric unit. The phenyl rings are rotated out of the benzofuran planes, making dihedral angles of 43.38 (7) and 56.13 (6)° in the two mol­ecules. The carboxyl groups are involved in inversion-related 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 weak non-classical inter­molecular C—H⋯O hydrogen bonds. The crystal structure also exhibits inter­molecular C—H⋯π inter­actions, and two aromatic π–π inter­actions between the furan rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.500 (3) and 3.605 (3) Å. International Union of Crystallography 2009-08-22 /pmc/articles/PMC2970066/ /pubmed/21577613 http://dx.doi.org/10.1107/S160053680903253X Text en © Choi et al. 2009 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
Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
title 2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
title_full 2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
title_fullStr 2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
title_full_unstemmed 2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
title_short 2-(3-Ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
title_sort 2-(3-ethyl­sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970066/
https://www.ncbi.nlm.nih.gov/pubmed/21577613
http://dx.doi.org/10.1107/S160053680903253X
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AT leeuk 23ethylsulfanyl5phenyl1benzofuran2ylaceticacid