Low-Frequency Raman Spectroscopy of Pure and Cocrystallized Mycophenolic Acid

The aqueous solubility of solid-state pharmaceuticals can often be enhanced by cocrystallization with a coformer to create binary cocrystal preferred physical properties. Greater understanding the internal and external forces that dictate molecular structure intermolecular packing arrangements enables more efficient design new cocrystals. Low-frequency (sub-200 cm−1) Raman spectroscopy experiments density functional theory simulations have been utilized together investigate crystal lattice vibrations mycophenolic acid, an immunosuppressive drug, in its pure form as 2,2′-dipyridylamine. primarily consist large-amplitude translations rotations components, thereby providing insights into critical governing cohesion solids. reveal despite acid having significantly unfavorable conformation compared solid, exhibits greater thermodynamic stability over wide temperature range. energetic penalty due conformational strain is than compensated for strong between drug Quantifying balance energy factors formation indicates path forward development future