Structural Variability in Cocrystals: Occurrence of Variable Stoichiometry and High Z′ Forms in a Cocrystal System

Structural variability in molecular solids is often attributed to the competition between chemical and geometrical factors. While structural variability in single-component systems mostly manifests in polymorphism, high Z′ forms, and the formation of pseudopolymorphs, structural variability in cocrystals is rarely explored. This work indicates that even the cocrystal systems formed by rather simple-looking and commercially available compounds may exhibit a rich structural landscape with diverse structural forms. The cocrystal structures, while analyzed systematically, shed light on large synthon possibilities and possible correlations with closely related systems.