Role of Cocrystal and Solution Chemistry on the Formation and Stability of Cocrystals with Different Stoichiometry

Autor:	Naír Rodríguez-Hornedo, Adivaraha Jayasankar, L. Sreenivas Reddy, Sarah J. Bethune
Rok vydání:	2009
Předmět:	Ligand Chemistry Synthon Inorganic chemistry General Chemistry Solubility equilibrium Condensed Matter Physics Cocrystal law.invention law Computational chemistry Phase (matter) General Materials Science Crystallization Solubility Stoichiometry
Zdroj:	Crystal Growth & Design. 9:889-897
ISSN:	1528-7505 1528-7483
DOI:	10.1021/cg800632r
Popis:	The objective of this study is to identify factors and conditions governing the formation and stability of cocrystals with different stoichiometry. Carbamazepine−4-aminobenzoic acid (CBZ−4ABA) cocrystals were chosen as the model system. A 1:1 CBZ−4ABA cocrystal was discovered by the reaction crystallization method. This cocrystal is characterized by carboxylic acid···acid and amide···amide homosynthons. The stability of 2:1 and 1:1 cocrystals is shown to be dependent on ligand solution concentration. The cocrystal richer in ligand component is more stable at higher ligand solution concentrations. Solubility of cocrystals and crystalline drug is explained by 1:1 solution complexation, and both cocrystals follow solubility product behavior. Mathematical models based on cocrystal and solution chemistry were fit to experimental data to generate phase solubility and triangular phase diagrams.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::72ea20d00474c61d1e46e0389f7bc930 https://doi.org/10.1021/cg800632r Zobrazit plný text záznamu