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Cyanopyridines – Suitable Heterocycles for Cocrystal Syntheses
Author(s) -
Enkelmann Dennis,
Lipinski Gregor,
Merz Klaus
Publication year - 2021
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202100306
Subject(s) - cocrystal , chemistry , intermolecular force , crystal engineering , glutaric acid , oxalic acid , adipic acid , crystal (programming language) , crystallography , crystal structure , organic chemistry , supramolecular chemistry , hydrogen bond , molecule , computer science , programming language
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.