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Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
In the title compound, C(14)H(15)BrO(4)S, the S atom has a distorted trigonal–pyramidal coordination. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The molecules form slightly slipped π-stacked inversion-symmetric d...
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/PMC2968554/ https://www.ncbi.nlm.nih.gov/pubmed/21582183 http://dx.doi.org/10.1107/S160053680900453X |
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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(14)H(15)BrO(4)S, the S atom has a distorted trigonal–pyramidal coordination. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The molecules form slightly slipped π-stacked inversion-symmetric dimers by intermolecular aromatic π–π interactions, with a centroid-to-centroid distance of 3.695 (4) Å between the benzene rings of neighbouring molecules. The crystal packing is further stabilized by intermolecular C—H⋯π interactions between the methylene H atoms of the propyl group towards the benzene and furan rings of neighbouring molecules, respectively. Additionally, the crystal structure exhibits weak intermolecular C—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-2968554 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29685542010-12-30 Propyl 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(14)H(15)BrO(4)S, the S atom has a distorted trigonal–pyramidal coordination. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The molecules form slightly slipped π-stacked inversion-symmetric dimers by intermolecular aromatic π–π interactions, with a centroid-to-centroid distance of 3.695 (4) Å between the benzene rings of neighbouring molecules. The crystal packing is further stabilized by intermolecular C—H⋯π interactions between the methylene H atoms of the propyl group towards the benzene and furan rings of neighbouring molecules, respectively. Additionally, the crystal structure exhibits weak intermolecular C—H⋯O hydrogen bonds. International Union of Crystallography 2009-02-13 /pmc/articles/PMC2968554/ /pubmed/21582183 http://dx.doi.org/10.1107/S160053680900453X 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 Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | Propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | propyl 2-(5-bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968554/ https://www.ncbi.nlm.nih.gov/pubmed/21582183 http://dx.doi.org/10.1107/S160053680900453X |
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