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Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate
The title compound, C(12)H(11)ClO(4)S, was prepared by the oxidation of methyl 2-(5-chloro-3-methylsulfanyl-1-benzofuran-2-yl)acetate with 3-chloroperoxybenzoic acid. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment....
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959551/ https://www.ncbi.nlm.nih.gov/pubmed/21580999 http://dx.doi.org/10.1107/S1600536808033503 |
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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 | The title compound, C(12)H(11)ClO(4)S, was prepared by the oxidation of methyl 2-(5-chloro-3-methylsulfanyl-1-benzofuran-2-yl)acetate with 3-chloroperoxybenzoic acid. 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 rings of neighbouring molecules [centroid-to-centroid distance = 3.809 (2) Å], and by C—H⋯π interactions between a methyl H atom and the furan ring of an adjacent molecule. In addition, the crystal structure exhibits intermolecular C—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-2959551 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29595512010-12-30 Methyl 2-(5-chloro-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 The title compound, C(12)H(11)ClO(4)S, was prepared by the oxidation of methyl 2-(5-chloro-3-methylsulfanyl-1-benzofuran-2-yl)acetate with 3-chloroperoxybenzoic acid. 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 rings of neighbouring molecules [centroid-to-centroid distance = 3.809 (2) Å], and by C—H⋯π interactions between a methyl H atom and the furan ring of an adjacent molecule. In addition, the crystal structure exhibits intermolecular C—H⋯O hydrogen bonds. International Union of Crystallography 2008-10-18 /pmc/articles/PMC2959551/ /pubmed/21580999 http://dx.doi.org/10.1107/S1600536808033503 Text en © Choi et al. 2008 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-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959551/ https://www.ncbi.nlm.nih.gov/pubmed/21580999 http://dx.doi.org/10.1107/S1600536808033503 |
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