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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2970066 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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