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Sildenafil–Resorcinol Cocrystal: XRPD Structure and DFT Calculations
2020
Crystals
Herein, the X-ray powder diffraction (XRPD) crystal structure of a new Sildenafil cocrystal is reported, where resorcinol has been used as the coformer. The crystal structure has been solved by means of direct space methods used in combination with density functional theory (DFT) calculations. In the structure, the Sildenafil and resorcinol molecules form cooperative hydrogen bond (HB) and π-stacking interactions that have been analyzed using DFT calculations, the molecular electrostatic
doi:10.3390/cryst10121126
fatcat:4sq5yg5xujai7eps6wydoavpvm