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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...

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Autores principales: Caracelli, Ignez, Zukerman-Schpector, Julio, Stefani, Hélio A., Gozhina, Olga, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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