3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione

Abstract

Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.005 Å; R factor = 0.068; wR factor = 0.133; data-to-parameter ratio = 15.6.In the title molecule, C 24 H 19 NO 6 S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.180 (5) and 0.497 (5) Å , respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazine unit and the methoxyphenyl group are almost coplanar, with the dihedral angle between the mean planes of these rings being 5.9 (2) , while the benzene ring of the 2-oxo-2-phenylethyl group is inclined at 79.68 (11) and 81.01 (10) , respectively, to these rings. The molecular structure is consolidated by intramolecular O-HÁ Á ÁO and C-HÁ Á ÁN interactions, and the crystal packing is stabilized by weak C-HÁ Á ÁO hydrogen bonds. Related literature