ПРОМЕДИА: М.
The title compound, 4-hydroxy-2H-1,2-benzothiazine-3-carbohydrazide 1,1-dioxide-oxalo-hydrazide (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 R22 (10), R22 (13), R33 (12) and R33 (15) rings, which lead to one-dimensional polymeric chains. An extensive three-dimensional supramolecular network of N—H…N, N—H…O, С—H…. O and O—H…. O hydrogen bonds is responsible for crystal structure stabilization.