Structural Insights Into The Distinct Solid-State Properties And Interconversion Of Celecoxib N-Methyl-2-Pyrrolidone Solvates

In an effort to develop a tablet product of celecoxib by overcoming its poor physicochemical properties using a pharmaceutically acceptable solvate, we isolated two stoichiometric N-Methyl-2-Pyrrolidone (NMP) solvates of celecoxib (CEL), mono-NMP and di-NMP solvates. Here, we report the preparation, characterization, and structural origin of different properties of the two CEL solvates, including a rare and complex heating induced phase transformation from di-NMP to mono-NMP solvate.