5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran

In the title compound, C(11)H(11)BrO(2)S, the O atom and the methyl group of the methyl­sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by non-classical inter­molecular C—H⋯O hydrogen bonding, and by inter­molecular C—Br...

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Detalles Bibliográficos
Autores principales: Seo, Pil Ja, Choi, Hong Dae, 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/PMC2970146/
https://www.ncbi.nlm.nih.gov/pubmed/21577691
http://dx.doi.org/10.1107/S1600536809034011
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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(11)H(11)BrO(2)S, the O atom and the methyl group of the methyl­sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by non-classical inter­molecular C—H⋯O hydrogen bonding, and by inter­molecular C—Br⋯π inter­actions, with C—Br⋯Cg = 3.629 Å (Cg is the centroid of the benzene ring). In addition, the crystal structure exhibits aromatic π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 4.206 (6) Å].
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spelling pubmed-29701462010-12-30 5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran 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(11)H(11)BrO(2)S, the O atom and the methyl group of the methyl­sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by non-classical inter­molecular C—H⋯O hydrogen bonding, and by inter­molecular C—Br⋯π inter­actions, with C—Br⋯Cg = 3.629 Å (Cg is the centroid of the benzene ring). In addition, the crystal structure exhibits aromatic π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 4.206 (6) Å]. International Union of Crystallography 2009-08-29 /pmc/articles/PMC2970146/ /pubmed/21577691 http://dx.doi.org/10.1107/S1600536809034011 Text en © Seo 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
Seo, Pil Ja
Choi, Hong Dae
Son, Byeng Wha
Lee, Uk
5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
title 5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
title_full 5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
title_fullStr 5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
title_full_unstemmed 5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
title_short 5-Bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
title_sort 5-bromo-2,7-dimethyl-3-methyl­sulfinyl-1-benzofuran
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970146/
https://www.ncbi.nlm.nih.gov/pubmed/21577691
http://dx.doi.org/10.1107/S1600536809034011
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AT choihongdae 5bromo27dimethyl3methylsulfinyl1benzofuran
AT sonbyengwha 5bromo27dimethyl3methylsulfinyl1benzofuran
AT leeuk 5bromo27dimethyl3methylsulfinyl1benzofuran

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