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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...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-9993925 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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