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2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate
In the title compound, C(21)H(13)BrO(4)S·C(6)H(6), the O atom and the phenyl group of the phenylsulfinyl substituent are located on opposite sides of the mean plane of the 5,6-methylenedioxybenzofuran fragment; the phenyl ring is almost perpendicular to this plane [83.66 (6)°]. The 4-bromophenyl...
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/PMC2970418/ https://www.ncbi.nlm.nih.gov/pubmed/21577952 http://dx.doi.org/10.1107/S1600536809037283 |
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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(21)H(13)BrO(4)S·C(6)H(6), the O atom and the phenyl group of the phenylsulfinyl substituent are located on opposite sides of the mean plane of the 5,6-methylenedioxybenzofuran fragment; the phenyl ring is almost perpendicular to this plane [83.66 (6)°]. The 4-bromophenyl ring is rotated slightly out of the 5,6-methylenedioxybenzofuran plane, making a dihedral angle of 2.9 (1)°. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds and intermolecular C—H⋯π interactions. The crystal structure also exhibits π–π interactions between the benzene ring and the 4-bromophenyl ring of an adjacent molecule [centroid–centroid distance = 3.586 (3) Å]. |
format | Text |
id | pubmed-2970418 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29704182010-12-30 2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate 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(21)H(13)BrO(4)S·C(6)H(6), the O atom and the phenyl group of the phenylsulfinyl substituent are located on opposite sides of the mean plane of the 5,6-methylenedioxybenzofuran fragment; the phenyl ring is almost perpendicular to this plane [83.66 (6)°]. The 4-bromophenyl ring is rotated slightly out of the 5,6-methylenedioxybenzofuran plane, making a dihedral angle of 2.9 (1)°. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds and intermolecular C—H⋯π interactions. The crystal structure also exhibits π–π interactions between the benzene ring and the 4-bromophenyl ring of an adjacent molecule [centroid–centroid distance = 3.586 (3) Å]. International Union of Crystallography 2009-09-19 /pmc/articles/PMC2970418/ /pubmed/21577952 http://dx.doi.org/10.1107/S1600536809037283 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-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
title | 2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
title_full | 2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
title_fullStr | 2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
title_full_unstemmed | 2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
title_short | 2-(4-Bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
title_sort | 2-(4-bromophenyl)-5,6-methylenedioxy-3-phenylsulfinyl-1-benzofuran benzene solvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970418/ https://www.ncbi.nlm.nih.gov/pubmed/21577952 http://dx.doi.org/10.1107/S1600536809037283 |
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