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Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones

The synthesis and crystal structures of 2-(4-fluoro­phen­yl)-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one toluene hemisolvate (1), C(19)H(13)FN(2)OS·0.5C(7)H(8), and 2-(4-nitro­phen­yl)-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one iso­propanol 0.25-solvate 0.0625-hydrate (2...

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Detalles Bibliográficos
Autores principales: Yennawar, Hemant P., Thompson, Eric N., Li, Jennie, Silverberg, Lee J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829726/
https://www.ncbi.nlm.nih.gov/pubmed/31709091
http://dx.doi.org/10.1107/S2056989019013781
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author Yennawar, Hemant P.
Thompson, Eric N.
Li, Jennie
Silverberg, Lee J.
author_facet Yennawar, Hemant P.
Thompson, Eric N.
Li, Jennie
Silverberg, Lee J.
author_sort Yennawar, Hemant P.
collection PubMed
description The synthesis and crystal structures of 2-(4-fluoro­phen­yl)-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one toluene hemisolvate (1), C(19)H(13)FN(2)OS·0.5C(7)H(8), and 2-(4-nitro­phen­yl)-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one iso­propanol 0.25-solvate 0.0625-hydrate (2), C(19)H(13)N(3)O(3)S·0.25C(3)H(7)O·0.0625H(2)O, are reported. Both are racemic mixtures (centrosymmetric crystal structures) of the individual com­pounds and incorporate solvent mol­ecules in their structures. Compound 2 has four thia­zine mol­ecules in the asymmetric unit. All the thia­zine rings in this study show an envelope pucker, with the C atom bearing the substituted phenyl ring displaced from the other atoms. The phenyl and aryl rings in each of the mol­ecules are roughly orthogonal to each other, with dihedral angles of about 75°. The extended structures of 1 and 2 are consolidated by C—H⋯O and C—H⋯N(π), as well as T-type (C—H⋯π) inter­actions. Parallel aromatic ring inter­actions (π–π stacking) are observed only in 2.
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spelling pubmed-68297262019-11-08 Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones Yennawar, Hemant P. Thompson, Eric N. Li, Jennie Silverberg, Lee J. Acta Crystallogr E Crystallogr Commun Research Communications The synthesis and crystal structures of 2-(4-fluoro­phen­yl)-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one toluene hemisolvate (1), C(19)H(13)FN(2)OS·0.5C(7)H(8), and 2-(4-nitro­phen­yl)-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one iso­propanol 0.25-solvate 0.0625-hydrate (2), C(19)H(13)N(3)O(3)S·0.25C(3)H(7)O·0.0625H(2)O, are reported. Both are racemic mixtures (centrosymmetric crystal structures) of the individual com­pounds and incorporate solvent mol­ecules in their structures. Compound 2 has four thia­zine mol­ecules in the asymmetric unit. All the thia­zine rings in this study show an envelope pucker, with the C atom bearing the substituted phenyl ring displaced from the other atoms. The phenyl and aryl rings in each of the mol­ecules are roughly orthogonal to each other, with dihedral angles of about 75°. The extended structures of 1 and 2 are consolidated by C—H⋯O and C—H⋯N(π), as well as T-type (C—H⋯π) inter­actions. Parallel aromatic ring inter­actions (π–π stacking) are observed only in 2. International Union of Crystallography 2019-10-22 /pmc/articles/PMC6829726/ /pubmed/31709091 http://dx.doi.org/10.1107/S2056989019013781 Text en © Yennawar et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Yennawar, Hemant P.
Thompson, Eric N.
Li, Jennie
Silverberg, Lee J.
Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones
title Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones
title_full Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones
title_fullStr Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones
title_full_unstemmed Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones
title_short Crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-ones
title_sort crystal structures of two solvated 2-aryl-3-phenyl-2,3-di­hydro-4h-pyrido[3,2-e][1,3]thia­zin-4-ones
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829726/
https://www.ncbi.nlm.nih.gov/pubmed/31709091
http://dx.doi.org/10.1107/S2056989019013781
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