Construction of Extended Molecular Networks with Heterosynthons in Cocrystals of Pyrazole and Acids

Abstract

N-unsubstituted pyrazole and carboxylic acid, being self-complementary molecules, offer a broad scope of study of binary compounds based on the complementary combination of H-bonding/donating sites. We report here the construction of five extended molecular networks in cocrystals of a pyrazole-based ditopic molecule and carboxylic acids. We have been able to identify three major supramolecualr synthons that would be helpful in the prediction of structural motifs for these kinds of studies. Interestingly, these heterosynthons are strikingly similar, both from the perspective of H-bond directionality and from the size of the synthons, to those of the homosynthons of the individual functional groups.