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Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
In the title compound, C(15)H(17)IO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak intermolecular C—H⋯π interactions between a methyl H atom of the methylsulfinyl gr...
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/PMC2968330/ https://www.ncbi.nlm.nih.gov/pubmed/21581881 http://dx.doi.org/10.1107/S1600536809000208 |
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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)IO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak intermolecular C—H⋯π interactions between a methyl H atom of the methylsulfinyl group and the benzene ring of the benzofuran system, and by an I⋯O halogen bond of 3.173 (3) Å and a nearly linear C—I⋯O angle of 171.7 (1)°. In addition, the crystal structure exhibits weak intermolecular C—H⋯O hydrogen bonds. The O atom of the carbonyl group and the butyl chain are both disordered over two positions with site-occupancy factors from refinement of 0.55 (4) and 0.45 (4) (for the O atom), and 0.76 (2) and 0.24 (2) (for the butyl group). |
format | Text |
id | pubmed-2968330 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29683302010-12-30 Butyl 2-(5-iodo-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)IO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak intermolecular C—H⋯π interactions between a methyl H atom of the methylsulfinyl group and the benzene ring of the benzofuran system, and by an I⋯O halogen bond of 3.173 (3) Å and a nearly linear C—I⋯O angle of 171.7 (1)°. In addition, the crystal structure exhibits weak intermolecular C—H⋯O hydrogen bonds. The O atom of the carbonyl group and the butyl chain are both disordered over two positions with site-occupancy factors from refinement of 0.55 (4) and 0.45 (4) (for the O atom), and 0.76 (2) and 0.24 (2) (for the butyl group). International Union of Crystallography 2009-01-08 /pmc/articles/PMC2968330/ /pubmed/21581881 http://dx.doi.org/10.1107/S1600536809000208 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-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968330/ https://www.ncbi.nlm.nih.gov/pubmed/21581881 http://dx.doi.org/10.1107/S1600536809000208 |
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