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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...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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].
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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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