title: Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior.
abstract: Control of crystallization processes for organic salts is of importance to the pharmaceutical industry as many active pharmaceutical materials are marketed as salts. In this study, a method for estimating the solubility product of a salt of a weak acid and weak base from measured pH-solubility data is described for the first time. This allows calculation of the supersaturation of solutions at known pH. Ethylenediammonium 3,5-dinitrobenzoate is a polymorphic organic salt. A detailed study of the effects of pH, supersaturation, and temperature of crystallization on the physical properties of this salt shows that the desired polymorph may be produced by appropriate selection of the pH and supersaturation of crystallization. Crystal morphology is also controlled by these crystallization conditions.
authors.affiliation: Molecular Materials Centre, School of Chemical Engineering and Analytical Sciences, The University of Manchester, PO Box 88, Manchester M60 1QD, United Kingdom.
authors.forename: H P
authors.initials: HP
authors.lastname: Jones
authors.forename: R J
authors.initials: RJ
authors.lastname: Davey
authors.forename: B G
authors.initials: BG
authors.lastname: Cox
mesh_terms: D000143:Acids / Q000737:chemistry*; D000468:Alkalies / Q000737:chemistry*; D003460:Crystallization; D006860:Hydrogen Bonding; D006863:Hydrogen-Ion Concentration; D012492:Salts / Q000737:chemistry*; D012995:Solubility
chemical_list: D000143:Acids; D000468:Alkalies; D012492:Salts