Cargando…

Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan

The title compound, C(17)H(16)O(3)S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo­furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl­phenyl ring is 83.88 (5) for A and 86.94 (5)° for B....

Descripción completa

Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257330/
https://www.ncbi.nlm.nih.gov/pubmed/25484818
http://dx.doi.org/10.1107/S1600536814022788
_version_ 1782347729410719744
author Choi, Hong Dae
Lee, Uk
author_facet Choi, Hong Dae
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description The title compound, C(17)H(16)O(3)S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo­furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl­phenyl ring is 83.88 (5) for A and 86.94 (5)° for B. In the crystal, the B mol­ecules are linked into a chain along the b-axis direction by C—H⋯O hydrogen bonds. The A mol­ecules are connected on either side of this chain by further C—H⋯O hydrogen bonds. These chains are linked via C—H⋯π inter­actions, forming sheets parallel to (100). There are also very weak π–π inter­actions present [centroid–centroid distance = 3.925 (11) Å] involvingthe 2-methyl­phenyl rings of neighbouring A and B mol­ecules.
format Online
Article
Text
id pubmed-4257330
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-42573302014-12-05 Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan Choi, Hong Dae Lee, Uk Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(17)H(16)O(3)S, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo­furan ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methyl­phenyl ring is 83.88 (5) for A and 86.94 (5)° for B. In the crystal, the B mol­ecules are linked into a chain along the b-axis direction by C—H⋯O hydrogen bonds. The A mol­ecules are connected on either side of this chain by further C—H⋯O hydrogen bonds. These chains are linked via C—H⋯π inter­actions, forming sheets parallel to (100). There are also very weak π–π inter­actions present [centroid–centroid distance = 3.925 (11) Å] involvingthe 2-methyl­phenyl rings of neighbouring A and B mol­ecules. International Union of Crystallography 2014-10-24 /pmc/articles/PMC4257330/ /pubmed/25484818 http://dx.doi.org/10.1107/S1600536814022788 Text en © Choi and Lee 2014 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 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
title Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_full Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_fullStr Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_full_unstemmed Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_short Crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_sort crystal structure of 2,5-dimethyl-3-(2-methyl­phenyl­sulfon­yl)-1-benzo­furan
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257330/
https://www.ncbi.nlm.nih.gov/pubmed/25484818
http://dx.doi.org/10.1107/S1600536814022788
work_keys_str_mv AT choihongdae crystalstructureof25dimethyl32methylphenylsulfonyl1benzofuran
AT leeuk crystalstructureof25dimethyl32methylphenylsulfonyl1benzofuran