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Crystal structure, Hirshfeld surface and crystal void analysis, intermolecular interaction energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thiazin-3(4H)-one 1,1-dioxide

In the title molecule, C(8)H(7)NO(3)S, the nitrogen atom has a planar environment, and the thiazine ring exhibits a screw-boat conformation. In the crystal, corrugated layers of molecules parallel to the ab plane are formed by N—H⋯O and C—H⋯O hydrogen bonds together with C—H⋯π(ring) and S=O⋯π(ri...

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Detalles Bibliográficos
Autores principales:	Irrou, Ezaddine, Ait Elmachkouri, Younesse, Mazzah, Ahmed, Hökelek, Tuncer, Haoudi, Amal, Mague, Joel T., Taha, Mohamed Labd, Sebbar, Nada Kheira
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2023
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626949/ https://www.ncbi.nlm.nih.gov/pubmed/37936855 http://dx.doi.org/10.1107/S205698902300868X

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