Application of Phase Diagrams in Co-crystal Search and Preparation
Typical selection criteria for co-crystal formers include toxicological considerations, physico-chemical properties such as water solubility, and the functional groups that are available for interaction with the substance to be co-crystallized (
Thermodynamic considerations offer a complementary approach for targeted co-crystal search and development. They can provide selection criteria for suitable co-crystal formers and can also help to predict the most promising preparation conditions. This includes the potential to reduce experimental effort in co-crystal search and crystallization optimization significantly. Phase diagrams are the method of choice for visualizing the thermodynamic relationships and simplifying their application. Phase diagrams are thus a powerful and intuitive tool for planning co-crystal screenings and crystallization optimizations.