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Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)

The crystal structure of the title compound – meso-C(26)H(24)N(2)O(2)S(2) with two stereocenters – has half the mol­ecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thia­zine ring is in a conformation that is between half-chair and envelope [θ...

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Detalles Bibliográficos
Autores principales: Yennawar, Hemant P., Moyer, Quentin J., Silverberg, Lee J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176446/
https://www.ncbi.nlm.nih.gov/pubmed/30319809
http://dx.doi.org/10.1107/S2056989018013397
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author Yennawar, Hemant P.
Moyer, Quentin J.
Silverberg, Lee J.
author_facet Yennawar, Hemant P.
Moyer, Quentin J.
Silverberg, Lee J.
author_sort Yennawar, Hemant P.
collection PubMed
description The crystal structure of the title compound – meso-C(26)H(24)N(2)O(2)S(2) with two stereocenters – has half the mol­ecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thia­zine ring is in a conformation that is between half-chair and envelope [θ = 52.51 (17)°]. The phenyl ring on the 2-carbon atom of the thia­zine ring is pseudo-axial. The central phenyl ring of the mol­ecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)° between those planes. In the crystal, pairwise, weak C—H⋯O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring mol­ecules result in continuous strips propagating along the a-axis direction. Hydro­phobic inter­actions of the C—H⋯π type are also observed.
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spelling pubmed-61764462018-10-12 Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one) Yennawar, Hemant P. Moyer, Quentin J. Silverberg, Lee J. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound – meso-C(26)H(24)N(2)O(2)S(2) with two stereocenters – has half the mol­ecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thia­zine ring is in a conformation that is between half-chair and envelope [θ = 52.51 (17)°]. The phenyl ring on the 2-carbon atom of the thia­zine ring is pseudo-axial. The central phenyl ring of the mol­ecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)° between those planes. In the crystal, pairwise, weak C—H⋯O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring mol­ecules result in continuous strips propagating along the a-axis direction. Hydro­phobic inter­actions of the C—H⋯π type are also observed. International Union of Crystallography 2018-09-28 /pmc/articles/PMC6176446/ /pubmed/30319809 http://dx.doi.org/10.1107/S2056989018013397 Text en © Yennawar et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Yennawar, Hemant P.
Moyer, Quentin J.
Silverberg, Lee J.
Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)
title Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)
title_full Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)
title_fullStr Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)
title_full_unstemmed Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)
title_short Crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one)
title_sort crystal structure of meso-3,3′-(1,4-phenyl­ene)bis­(2-phenyl-2,3,5,6-tetra­hydro-4h-1,3-thia­zin-4-one)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176446/
https://www.ncbi.nlm.nih.gov/pubmed/30319809
http://dx.doi.org/10.1107/S2056989018013397
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