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

There are two mol­ecules in the asymmetric unit of the title compound, C(14)H(16)O(3)S. In the crystal structure, the carboxyl 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 a a...

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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:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969340/
https://www.ncbi.nlm.nih.gov/pubmed/21582817
http://dx.doi.org/10.1107/S1600536809021242
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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 There are two mol­ecules in the asymmetric unit of the title compound, C(14)H(16)O(3)S. In the crystal structure, the carboxyl 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 a axis by aromatic π–π inter­actions between the furan rings of adjacent mol­ecules [centroid–centroid distance = 3.430 (4) Å] and by additional C—H⋯π and C—H⋯O inter­actions.
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spelling pubmed-29693402010-12-30 2-(5-Isopropyl-3-methyl­sulfanyl-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 There are two mol­ecules in the asymmetric unit of the title compound, C(14)H(16)O(3)S. In the crystal structure, the carboxyl 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 a axis by aromatic π–π inter­actions between the furan rings of adjacent mol­ecules [centroid–centroid distance = 3.430 (4) Å] and by additional C—H⋯π and C—H⋯O inter­actions. International Union of Crystallography 2009-06-10 /pmc/articles/PMC2969340/ /pubmed/21582817 http://dx.doi.org/10.1107/S1600536809021242 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-(5-Isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title 2-(5-Isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_full 2-(5-Isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_fullStr 2-(5-Isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_full_unstemmed 2-(5-Isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_short 2-(5-Isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
title_sort 2-(5-isopropyl-3-methyl­sulfanyl-1-benzofuran-2-yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969340/
https://www.ncbi.nlm.nih.gov/pubmed/21582817
http://dx.doi.org/10.1107/S1600536809021242
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AT seopilja 25isopropyl3methylsulfanyl1benzofuran2ylaceticacid
AT sonbyengwha 25isopropyl3methylsulfanyl1benzofuran2ylaceticacid
AT leeuk 25isopropyl3methylsulfanyl1benzofuran2ylaceticacid

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