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2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
In the title compound, C(13)H(12)BrClO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. There is a mean deviation of 0.016 (4) Å from the least-squares plane defined by the nine constituent benzofuran atoms. The cr...
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/PMC2977709/ https://www.ncbi.nlm.nih.gov/pubmed/21583845 http://dx.doi.org/10.1107/S1600536809012847 |
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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(13)H(12)BrClO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. There is a mean deviation of 0.016 (4) Å from the least-squares plane defined by the nine constituent benzofuran atoms. The crystal structure is stabilized by aromatic π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.689 (7) Å]and by a weak C—H⋯π interaction between an H atom of the methylene group bonded to the carboxylate O atom and the benzene ring of an adjacent molecule. In addition, the crystal structure exhibits weak non-classical intermolecular C—H⋯O hydrogen bonds. The chloroethyl group is disordered over two positions, with refined site-occupancy factors of 0.767 (6) and 0.233 (6). |
format | Text |
id | pubmed-2977709 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29777092010-12-30 2-Chloroethyl 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(13)H(12)BrClO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. There is a mean deviation of 0.016 (4) Å from the least-squares plane defined by the nine constituent benzofuran atoms. The crystal structure is stabilized by aromatic π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.689 (7) Å]and by a weak C—H⋯π interaction between an H atom of the methylene group bonded to the carboxylate O atom and the benzene ring of an adjacent molecule. In addition, the crystal structure exhibits weak non-classical intermolecular C—H⋯O hydrogen bonds. The chloroethyl group is disordered over two positions, with refined site-occupancy factors of 0.767 (6) and 0.233 (6). International Union of Crystallography 2009-04-10 /pmc/articles/PMC2977709/ /pubmed/21583845 http://dx.doi.org/10.1107/S1600536809012847 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 2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | 2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | 2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | 2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | 2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | 2-Chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | 2-chloroethyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977709/ https://www.ncbi.nlm.nih.gov/pubmed/21583845 http://dx.doi.org/10.1107/S1600536809012847 |
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