Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan

In the title compound, C(18)H(17)BrO(2)S, the dihedral angle between the mean planes of the benzo­furan [r.m.s. deviation = 0.025 (2) Å] and the 2-methyl­benzene rings is 87.87 (5)°. In the crystal, mol­ecules are linked into supra­molecular layers parallel to (0-11) by C—H⋯O hydrogen bonds and Br⋯B...

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Autores principales: Choi, Hong Dae, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571419/
https://www.ncbi.nlm.nih.gov/pubmed/26396819
http://dx.doi.org/10.1107/S2056989015013687
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author Choi, Hong Dae
Lee, Uk
author_facet Choi, Hong Dae
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description In the title compound, C(18)H(17)BrO(2)S, the dihedral angle between the mean planes of the benzo­furan [r.m.s. deviation = 0.025 (2) Å] and the 2-methyl­benzene rings is 87.87 (5)°. In the crystal, mol­ecules are linked into supra­molecular layers parallel to (0-11) by C—H⋯O hydrogen bonds and Br⋯Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C—H⋯π inter­actions, which link inversion-related mol­ecules into dimers, and π–π inter­actions between the benzene and furan rings [centroid–centroid distance = 3.573 (2) Å].
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spelling pubmed-45714192015-09-22 Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan Choi, Hong Dae Lee, Uk Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(18)H(17)BrO(2)S, the dihedral angle between the mean planes of the benzo­furan [r.m.s. deviation = 0.025 (2) Å] and the 2-methyl­benzene rings is 87.87 (5)°. In the crystal, mol­ecules are linked into supra­molecular layers parallel to (0-11) by C—H⋯O hydrogen bonds and Br⋯Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C—H⋯π inter­actions, which link inversion-related mol­ecules into dimers, and π–π inter­actions between the benzene and furan rings [centroid–centroid distance = 3.573 (2) Å]. International Union of Crystallography 2015-07-25 /pmc/articles/PMC4571419/ /pubmed/26396819 http://dx.doi.org/10.1107/S2056989015013687 Text en © Choi and Lee 2015 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 Data Reports
Choi, Hong Dae
Lee, Uk
Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
title Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
title_full Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
title_fullStr Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
title_full_unstemmed Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
title_short Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
title_sort crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methyl­phen­yl)sulfin­yl]-1-benzo­furan
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571419/
https://www.ncbi.nlm.nih.gov/pubmed/26396819
http://dx.doi.org/10.1107/S2056989015013687
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