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Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane
In the title compound, C(10)H(11)NO(2)S(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 nitrobenzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plan...
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/PMC4350730/ https://www.ncbi.nlm.nih.gov/pubmed/25844237 http://dx.doi.org/10.1107/S2056989015002844 |
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author | Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. |
author_facet | Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. |
author_sort | Caracelli, Ignez |
collection | PubMed |
description | In the title compound, C(10)H(11)NO(2)S(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 nitrobenzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane through the 1,3-dithiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12 (3)°. In the crystal, molecules aggregate into supramolecular zigzag chains (glide symmetry along the c axis) via nitro–benzene N—O⋯π [N—O⋯Cg(benzene) = 3.4279 (18) Å and angle at O = 93.95 (11)°] interactions. The chains pack with no specific intermolecular interactions between them. |
format | Online Article Text |
id | pubmed-4350730 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507302015-04-03 Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(10)H(11)NO(2)S(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 nitrobenzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane through the 1,3-dithiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12 (3)°. In the crystal, molecules aggregate into supramolecular zigzag chains (glide symmetry along the c axis) via nitro–benzene N—O⋯π [N—O⋯Cg(benzene) = 3.4279 (18) Å and angle at O = 93.95 (11)°] interactions. The chains pack with no specific intermolecular interactions between them. International Union of Crystallography 2015-02-13 /pmc/articles/PMC4350730/ /pubmed/25844237 http://dx.doi.org/10.1107/S2056989015002844 Text en © Caracelli 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 Caracelli, Ignez Zukerman-Schpector, Julio Stefani, Hélio A. Gozhina, Olga Tiekink, Edward R. T. Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
title | Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
title_full | Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
title_fullStr | Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
title_full_unstemmed | Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
title_short | Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
title_sort | crystal structure of 2-(3-nitrophenyl)-1,3-dithiane |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350730/ https://www.ncbi.nlm.nih.gov/pubmed/25844237 http://dx.doi.org/10.1107/S2056989015002844 |
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