1 research outputs found
Design and Synthesis of Ternary Cocrystals Using Carboxyphenols and Two Complementary Acceptor Compounds
A strategy combining a ditopic hydrogen-bond
donor with two different
hydrogen-bond acceptor molecules is proposed for the assembly of simple
trimeric building blocks used in the construction of ternary cocrystals.
The crystallization of each of three different low symmetry carboxyphenols
(3-hydroxybenzoic acid, 6-hydroxy-2-naphthoic acid, and ferulic acid)
with acridine and 2-amino-4,6-dimethylpyrimidine yielded ternary cocrystals
where the three components are joined by phenol-pyridine and carboxylic
acid-amidine synthons. The use of p<i>K</i><sub>a</sub> values,
beta values, and synthon histories in the selection of the acceptor
compounds is discussed. Significant challenges to the growth of the
desired ternary products from solution were presented by competing
crystalline phases, including the individual components, a variety
of binary phases, salts, and hydrates. Molecular electrostatic potentials
were used to analyze the donating and accepting abilities of the competing
synthons