Arshad, M. N.Sahin, O.Zia-ur-Rehman, M.Khan, I. U.Asiri, A. M.Rafique, H. M.2025-03-232025-03-2320130022-47661573-8779https://doi.org/10.1134/S0022476613020224https://hdl.handle.net/11486/5346The title compound, 4-hydroxy-2H-1,2-benzothiazine-3-carbohydrazide 1,1-dioxide-oxalohydrazide (1:1), is determined using X-ray diffraction techniques and the molecular structure is also optimized at the B3LYP/6-31G(d,p) level using density functional theory (DFT). The asymmetric unit consists of four independent molecules. The oxalohydrazide molecules have the centre of symmetry at the mid-point of the central C-C bond. Each thiazine ring adopts a half-chair conformation. Intermolecular C-H...O, N-H...O and N-H...N hydrogen bonds produce R (2) (2) (10), R (2) (2) (13), R (3) (3) (12) and R (3) (3) (15) rings, which lead to one-dimensional polymeric chains. An extensive three-dimensional supramolecular network of N-H...N, N-H...O, C-H...O and O-H...O hydrogen bonds is responsible for crystal structure stabilization.eninfo:eu-repo/semantics/closedAccessX-ray diffraction analysisbenzothiazineoxalohydrazideDFTMulliken atomic chargemolecular electrostatic potentialArticle54243744210.1134/S00224766130202242-s2.0-84878714539Q3WOS:000319433400022Q4