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Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate
There are two symmetry-independent molecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each molecule, 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 ar...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969819/ https://www.ncbi.nlm.nih.gov/pubmed/21583107 http://dx.doi.org/10.1107/S1600536809016298 |
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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 symmetry-independent molecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each molecule, 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 aromatic π–π interactions between the benzene and furan ring [centroid–centroid distance = 3.866 (7) Å], and by intermolecular C—H⋯π interactions and a sulfinyl–sulfinyl interaction [S⋯O = 3.025 (4) Å]. The crystal structure also exhibits weak intermolecular C—H⋯O hydrogen bonds and two different I⋯O halogen bonds. |
format | Text |
id | pubmed-2969819 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29698192010-12-30 Methyl 2-(5-iodo-7-methyl-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 There are two symmetry-independent molecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each molecule, 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 aromatic π–π interactions between the benzene and furan ring [centroid–centroid distance = 3.866 (7) Å], and by intermolecular C—H⋯π interactions and a sulfinyl–sulfinyl interaction [S⋯O = 3.025 (4) Å]. The crystal structure also exhibits weak intermolecular C—H⋯O hydrogen bonds and two different I⋯O halogen bonds. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969819/ /pubmed/21583107 http://dx.doi.org/10.1107/S1600536809016298 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 Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | Methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | methyl 2-(5-iodo-7-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969819/ https://www.ncbi.nlm.nih.gov/pubmed/21583107 http://dx.doi.org/10.1107/S1600536809016298 |
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