Crystal structures of two nimesulide derivatives, C13H14O3N2S (2) and C21H16O5N2S (3), have been determined from X-ray powder diffraction data and their electronic structures were calculated at the DFT level. The optimized molecular geometries of 2 and 3 correspond closely to that obtained from the crystallographic analysis. Intermolecular hydrogen bonds and π… π stacking interactions form supramolecular assembly in both compounds. The ...
