Bis(3-hydroxymethylpyridynium) hexafluorosilicate monohydrate as a new potential anticaries agent: Synthesis, crystal structure and pharmacological properties

Abstract The hexafluorosilicate with the composition (LH)2SiF6·H2O (I, L = 3-hydroxymethylpyridine) was obtained by reaction of 45 % hexafluorosilicic acid with a methanol solution of L (H2SiF6 : L = 3: 1). The crystal structure I is stabilized by OH···O, NH···F, and OH···F H-bonds, and CH···F contacts. The symmetry of the SiF62– anion is close to D4h. The solubility of I in water was 1.63 mol. % and the degree of hydrolysis of the salt in a 1·10–4 M aqueous solution was 91.6 %. A PASS-analysis of the spectrum of biological activity L highlighted a low probability of toxic effects.