Cyanopyridines - Suitable Heterocycles For Cocrystal Syntheses

2-cyanopyridine and 4-cyanopyridine were investigated for the controlled synthesis of cocrystals by applying the pK(a) rule. Cocrystals were designed with oxalic, glutaric and adipic acids and analyzed by single crystal X-ray diffraction. To get a deeper insight into the aggregation behavior of the designed cocrystals, UNI Force Field Calculations were used to compare the intermolecular potentials of the main interactions of the crystal structures.