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, C8H7NO3S, 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(ring...

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Autors principals:	Ezaddine Irrou, Younesse Ait Elmachkouri, Ahmed Mazzah, Tuncer Hökelek, Amal Haoudi, Joel T. Mague, Mohamed Labd Taha, Nada Kheira Sebbar
Format:	Artigo
Idioma:	Inglês
Publicat:	International Union of Crystallography 2023-11-01
Col·lecció:	Acta Crystallographica Section E: Crystallographic Communications
Matèries:	crystal structure hydrogen bond c—h...π(ring) interaction π-stacking sulfone
Accés en línia:	http://scripts.iucr.org/cgi-bin/paper?S205698902300868X
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