Thermodynamic characteristics of cocrystal formation and melting points for rational design of pharmaceutical two-component systems

Abstract

A database containing the fusion temperatures of two-component molecular cocrystals and individual compounds has been built based on literature analysis. Correlation equations were obtained connecting the fusion temperatures of cocrystals and individual components, which made it possible to design cocrystals with predictable fusion temperatures. An approach has been developed to estimate cocrystal sublimation thermodynamic characteristics. Thermodynamic functions of 79 cocrystals have been obtained and analyzed by the diagram method.