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Crystal structure of 2-(3-bromophenyl)-1,3-dithiane
In the title compound, C(10)H(11)BrS(2), the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)° with the least-squares plane through...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350742/ https://www.ncbi.nlm.nih.gov/pubmed/25844236 http://dx.doi.org/10.1107/S2056989015002832 |
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author | Zukerman-Schpector, Julio Caracelli, Ignez Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. |
author_facet | Zukerman-Schpector, Julio Caracelli, Ignez Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. |
author_sort | Zukerman-Schpector, Julio |
collection | PubMed |
description | In the title compound, C(10)H(11)BrS(2), the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)° with the least-squares plane through the 1,3-dithiane ring. Thus, to a first approximation the molecule has mirror symmetry with the mirror containing the bromobenzene ring and the 1,4-disposed C atoms of the 1,3-dithiane ring. In the crystal, molecules associate via weak methylene–bromobenzene C—H⋯π and π–π [Cg⋯Cg = 3.7770 (14) Å for centrosymmetrically related bromobenzene rings] interactions, forming supramolecular layers parallel to [10-1]; these stack with no specific intermolecular interactions between them. |
format | Online Article Text |
id | pubmed-4350742 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507422015-04-03 Crystal structure of 2-(3-bromophenyl)-1,3-dithiane Zukerman-Schpector, Julio Caracelli, Ignez Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(10)H(11)BrS(2), the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)° with the least-squares plane through the 1,3-dithiane ring. Thus, to a first approximation the molecule has mirror symmetry with the mirror containing the bromobenzene ring and the 1,4-disposed C atoms of the 1,3-dithiane ring. In the crystal, molecules associate via weak methylene–bromobenzene C—H⋯π and π–π [Cg⋯Cg = 3.7770 (14) Å for centrosymmetrically related bromobenzene rings] interactions, forming supramolecular layers parallel to [10-1]; these stack with no specific intermolecular interactions between them. International Union of Crystallography 2015-02-13 /pmc/articles/PMC4350742/ /pubmed/25844236 http://dx.doi.org/10.1107/S2056989015002832 Text en © Zukerman-Schpector et al. 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 Zukerman-Schpector, Julio Caracelli, Ignez Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. Crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
title | Crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
title_full | Crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
title_fullStr | Crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
title_full_unstemmed | Crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
title_short | Crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
title_sort | crystal structure of 2-(3-bromophenyl)-1,3-dithiane |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350742/ https://www.ncbi.nlm.nih.gov/pubmed/25844236 http://dx.doi.org/10.1107/S2056989015002832 |
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