Mechanochemical Preparation and Solid-State Characterization of 1:1 and 2:1 Ionic Cocrystals of Cyanuric Acid with Alkali Halides

Mechanochemical mixing of cyanuric acid and alkali halides, which show extreme differences in solubility, is a viable, solvent-free method to quantitatively prepare ionic cocrystals (ICCs) of cyanuric acid (CA) with halide salts of alkali metals. In this paper, we report the preparation and structural characterization of a series of new compounds, namely, CA2·MCl (M= Rb, Cs), CA·MBr (M= Na, K, Rb, Cs), and CA·RbI, and of the two hydrates CA·NaBr·2H2O and CA·KI·H2O. Crystal structures were determined directly from X-ray powder diffraction data in all cases with the exception of CA·KI·H2O, for which single crystals were obtained. The effect of cation size on the stoichiometry as well as on the architecture of the ICCs has been discussed.