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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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Detalles Bibliográficos
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
Descripción
Sumario: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.