Preparation, characterization and computational study of mosapride solvates

Abstract

In this work, four mosapride solvates were prepared, including mosapride 1-propanol hydrate, mosapride 2-propanol hydrate, mosapride 1-butanol hydrate and mosapride 2-butanol hydrate. Single crystals were grown via the slow evaporation method. The structure of these solvates was determined by single crystal X-ray diffraction. Furthermore, the prepared solvates were characterized using Hirshfeld surface analysis, computational studies, TG and DSC analysis. Single crystal X-ray diffraction studies showed the presence of multiple and extensive hydrogen bonding between mosapride, solvents and hydrate molecules, such as N–H···O, O–H···O and O–H···N. The Hirshfeld surface analysis and computational studies were in full consistent with that obtained from single crystal X-ray diffraction studies. Thermal studies revealed that the title solvates have similar thermal stability and the weight loss matched well with the theoretical calculation.