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2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid
The title compound, C(13)H(13)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in intermolecular O—H⋯O hydrogen bonds, which link the molecules into dimers. These dimers are further pac...
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/PMC3254414/ https://www.ncbi.nlm.nih.gov/pubmed/22259558 http://dx.doi.org/10.1107/S1600536811052160 |
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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)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in intermolecular O—H⋯O hydrogen bonds, which link the molecules into dimers. These dimers are further packed into stacks along the c axis by intermolecular C—H⋯π interactions, and by slipped π–π interactions between the furan rings of adjacent molecules [centroid–centroid distance = 3.472 (2) Å, interplanar distance = 3.398 (2) Å and slippage = 0.713 (2) Å]. |
format | Online Article Text |
id | pubmed-3254414 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32544142012-01-18 2-(5-Bromo-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)BrO(3)S, was prepared by alkaline hydrolysis of ethyl 2-(5-bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetate. In the crystal, the carboxyl groups are involved in intermolecular O—H⋯O hydrogen bonds, which link the molecules into dimers. These dimers are further packed into stacks along the c axis by intermolecular C—H⋯π interactions, and by slipped π–π interactions between the furan rings of adjacent molecules [centroid–centroid distance = 3.472 (2) Å, interplanar distance = 3.398 (2) Å and slippage = 0.713 (2) Å]. International Union of Crystallography 2011-12-10 /pmc/articles/PMC3254414/ /pubmed/22259558 http://dx.doi.org/10.1107/S1600536811052160 Text en © Seo et al. 2012 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-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
title | 2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
title_full | 2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
title_fullStr | 2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
title_full_unstemmed | 2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
title_short | 2-(5-Bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
title_sort | 2-(5-bromo-3-isopropylsulfanyl-1-benzofuran-2-yl)acetic acid |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254414/ https://www.ncbi.nlm.nih.gov/pubmed/22259558 http://dx.doi.org/10.1107/S1600536811052160 |
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