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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....
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
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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 | 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 |
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