The nucleation of inosine: the impact of solution chemistry on the appearance of polymorphic and hydrated crystal forms.

This contribution concerns the issue of crystal nucleation in the polymorphic and hydrate forming system inosine-water. A combination of computational and experimental tools have been used to explore the relationship between solution phase inosine species and the structural synthons as found in its crystal structures. It is evident that the initial nucleation of a metastable polymorph at temperatures above 10 degrees C is directed by dimeric self-association as revealed through proton NMR.