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Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
In the title compound, C(15)H(17)BrO(4)S, the methylsulfinyl O atom and the methyl substituents lie on opposite sides of the plane through the benzofuran fragment. The crystal structure is stabilized by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distan...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968244/ https://www.ncbi.nlm.nih.gov/pubmed/21581880 http://dx.doi.org/10.1107/S1600536808043985 |
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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 | In the title compound, C(15)H(17)BrO(4)S, the methylsulfinyl O atom and the methyl substituents lie on opposite sides of the plane through the benzofuran fragment. The crystal structure is stabilized by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.698 (4) Å], and by C—H⋯π interactions between a methylene H atom of the butyl group and the benzene ring of the benzofuran system. Additionally, the crystal structure exhibits weak intermolecular C—H⋯O contacts. The butyl group is disordered over two positions, with site-occupancy factors, from refinement, of 0.720 (8) and 0.280 (8). |
format | Text |
id | pubmed-2968244 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29682442010-12-30 Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(17)BrO(4)S, the methylsulfinyl O atom and the methyl substituents lie on opposite sides of the plane through the benzofuran fragment. The crystal structure is stabilized by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.698 (4) Å], and by C—H⋯π interactions between a methylene H atom of the butyl group and the benzene ring of the benzofuran system. Additionally, the crystal structure exhibits weak intermolecular C—H⋯O contacts. The butyl group is disordered over two positions, with site-occupancy factors, from refinement, of 0.720 (8) and 0.280 (8). International Union of Crystallography 2009-01-08 /pmc/articles/PMC2968244/ /pubmed/21581880 http://dx.doi.org/10.1107/S1600536808043985 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 Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | Butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | butyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968244/ https://www.ncbi.nlm.nih.gov/pubmed/21581880 http://dx.doi.org/10.1107/S1600536808043985 |
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