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Methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate
In the title compound, C(12)H(11)FO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O—S—C—C and C—S—C—C torsion angles = 126.70 (13) and −123.55 (13)°, respectively]. The crystal structure is stabilized by weak no...
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/PMC2969894/ https://www.ncbi.nlm.nih.gov/pubmed/21577512 http://dx.doi.org/10.1107/S1600536809030451 |
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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(12)H(11)FO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O—S—C—C and C—S—C—C torsion angles = 126.70 (13) and −123.55 (13)°, respectively]. The crystal structure is stabilized by weak non-classical intermolecular C—H⋯O hydrogen-bond interactions. The crystal structure also exhibits aromatic π–π stacking interactions between furan/benzene and benzene/benzene rings of adjacent benzofuran ring systems [centroid–centroid distances = 3.8258 (9) and 3.8794 (9) Å] and a weak intermolecular C—H⋯π ring interaction. |
format | Text |
id | pubmed-2969894 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29698942010-12-30 Methyl 2-(5-fluoro-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(12)H(11)FO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O—S—C—C and C—S—C—C torsion angles = 126.70 (13) and −123.55 (13)°, respectively]. The crystal structure is stabilized by weak non-classical intermolecular C—H⋯O hydrogen-bond interactions. The crystal structure also exhibits aromatic π–π stacking interactions between furan/benzene and benzene/benzene rings of adjacent benzofuran ring systems [centroid–centroid distances = 3.8258 (9) and 3.8794 (9) Å] and a weak intermolecular C—H⋯π ring interaction. International Union of Crystallography 2009-08-08 /pmc/articles/PMC2969894/ /pubmed/21577512 http://dx.doi.org/10.1107/S1600536809030451 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-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title | Methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full | Methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_fullStr | Methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_full_unstemmed | Methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_short | Methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
title_sort | methyl 2-(5-fluoro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969894/ https://www.ncbi.nlm.nih.gov/pubmed/21577512 http://dx.doi.org/10.1107/S1600536809030451 |
work_keys_str_mv | AT choihongdae methyl25fluoro3methylsulfinyl1benzofuran2ylacetate AT seopilja methyl25fluoro3methylsulfinyl1benzofuran2ylacetate AT sonbyengwha methyl25fluoro3methylsulfinyl1benzofuran2ylacetate AT leeuk methyl25fluoro3methylsulfinyl1benzofuran2ylacetate |