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Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one

The title sulfones, 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zine-1,1,4-trione, C(20)H(15)NO(3)S, and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zine-1,1,4-trione, C(19)H(14)N(2)O(3)S, crystallize in space group P2(1)/n with two mol­ecules in each of the asymmetric units and have almost...

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Autores principales: Yennawar, Hemant P., Mal, Tapas K., Pacheco, Carlos N., Lagalante, Anthony F., Olsen, Mark A., Russell, Michael W., Muench, Grace C., Moyer, Quentin J., Silverberg, Lee J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9993925/
https://www.ncbi.nlm.nih.gov/pubmed/36909997
http://dx.doi.org/10.1107/S2056989023001524
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author Yennawar, Hemant P.
Mal, Tapas K.
Pacheco, Carlos N.
Lagalante, Anthony F.
Olsen, Mark A.
Russell, Michael W.
Muench, Grace C.
Moyer, Quentin J.
Silverberg, Lee J.
author_facet Yennawar, Hemant P.
Mal, Tapas K.
Pacheco, Carlos N.
Lagalante, Anthony F.
Olsen, Mark A.
Russell, Michael W.
Muench, Grace C.
Moyer, Quentin J.
Silverberg, Lee J.
author_sort Yennawar, Hemant P.
collection PubMed
description The title sulfones, 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zine-1,1,4-trione, C(20)H(15)NO(3)S, and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zine-1,1,4-trione, C(19)H(14)N(2)O(3)S, crystallize in space group P2(1)/n with two mol­ecules in each of the asymmetric units and have almost identical unit cells and extended structures. In both structures, the thia­zine rings exhibit a screw-boat pucker. The inter­molecular inter­actions observed are C—H⋯O-type hydrogen bonds and parallel partial π–π stacking between the fused aromatic rings (benzo- or pyrido-) of the core of the mol­ecules within each asymmetric unit, and also connecting to mol­ecules with translational periodicity in the a-axis direction in what can be described as columns (two per asymmetric unit) of stacked mol­ecules with alternating chirality. The pendant phenyl groups of both mol­ecules do not participate in aromatic ring inter­actions.
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spelling pubmed-99939252023-03-09 Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one Yennawar, Hemant P. Mal, Tapas K. Pacheco, Carlos N. Lagalante, Anthony F. Olsen, Mark A. Russell, Michael W. Muench, Grace C. Moyer, Quentin J. Silverberg, Lee J. Acta Crystallogr E Crystallogr Commun Research Communications The title sulfones, 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zine-1,1,4-trione, C(20)H(15)NO(3)S, and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zine-1,1,4-trione, C(19)H(14)N(2)O(3)S, crystallize in space group P2(1)/n with two mol­ecules in each of the asymmetric units and have almost identical unit cells and extended structures. In both structures, the thia­zine rings exhibit a screw-boat pucker. The inter­molecular inter­actions observed are C—H⋯O-type hydrogen bonds and parallel partial π–π stacking between the fused aromatic rings (benzo- or pyrido-) of the core of the mol­ecules within each asymmetric unit, and also connecting to mol­ecules with translational periodicity in the a-axis direction in what can be described as columns (two per asymmetric unit) of stacked mol­ecules with alternating chirality. The pendant phenyl groups of both mol­ecules do not participate in aromatic ring inter­actions. International Union of Crystallography 2023-02-23 /pmc/articles/PMC9993925/ /pubmed/36909997 http://dx.doi.org/10.1107/S2056989023001524 Text en © Yennawar et al. 2023 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Research Communications
Yennawar, Hemant P.
Mal, Tapas K.
Pacheco, Carlos N.
Lagalante, Anthony F.
Olsen, Mark A.
Russell, Michael W.
Muench, Grace C.
Moyer, Quentin J.
Silverberg, Lee J.
Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one
title Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one
title_full Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one
title_fullStr Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one
title_full_unstemmed Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one
title_short Crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one
title_sort crystal structures of the sulfones of 2,3-diphenyl-2,3-di­hydro-4h-1,3-benzo­thia­zin-4-one and 2,3-diphenyl-2,3-di­hydro-4h-pyrido[3,2-e][1,3]thia­zin-4-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9993925/
https://www.ncbi.nlm.nih.gov/pubmed/36909997
http://dx.doi.org/10.1107/S2056989023001524
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