Carbamazepine Co-crystallization with Pyridine Carboxamides: Rationalization by Complementary Phase Diagrams and Crystal Energy Landscapes
| Autor: | Joop H. ter Horst, Sarah L. Price, M. A. Deij, Jaroslaw Mazurek, Matthew Habgood |
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| Rok vydání: | 2009 |
| Předmět: | |
| Zdroj: | Crystal Growth & Design. 10:903-912 |
| ISSN: | 1528-7505 1528-7483 |
| DOI: | 10.1021/cg901230b |
| Popis: | Isonicotinamide (INA) co-crystallizes with carbamazepine (CBZ), as do nicotinamide (NA) and benzamide. The structure of CBZ−INA form II is solved from powder and is shown to be isostructural with CBZ−NA. However picolinamide (PA), despite its similarity to the other pyridine carboxamides in the homologous series, does not appear to form a co-crystal with CBZ. We compare and contrast the use of computed crystal energy landscapes and binary and ternary phase diagrams to explain this behavior. Two 1:1 co-crystal structures of CBZ and INA were predicted to have lower or comparable lattice energies than the sum of the pure component lattice energies. These structures corresponded to the known co-crystal structures. On the other hand, lattice energies of predicted CBZ−PA co-crystal structures were less stable than the pure component lattice energies, implying that CBZ and PA would not form a co-crystal. This is consistent with the experimental evidence. Examination of the hypothetical crystal structures for CBZ... |
| Databáze: | OpenAIRE |
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