In situ Cryocrystallization: Pathways to Study Intermolecular Interactions

Abstract

In situ crystallization of a liquid, the subsequent determination of its molecular and crystal structure and consequent study of intermolecular interactions is an area of contemporary interest. This technique has been successfully applied for the structure determination of compounds, which are liquids at room temperature, solvents, low-melting solids, gas hydrates and ionic liquids. Particularly in solvents, the importance of how the molecules pack in the crystal lattice is of relevance in the context of polymorphic modifications and their possible implications in directing other molecules to crystallize. In situ cryocrystallization, i.e. crystallization of compounds in capillaries on the diffractometer, has offered meaningful outputs to understand both intra- and inter-molecular interactions. These offer well defined targets for molecular design, which can be exploited for the design of futuristic materials including areas like drugs, pharmaceuticals and technologically important materials.