Syntheses and crystal structures of new aurate salts of adenine or guanine nucleobases

Two new gold(III) complexes with adenine or guanine nitrogenous bases as counter-cations were synthesized. These are 6-amino-7H-purine-1,9-diium tetrachloridogold(III) chloride monohydrate, (C5H7N5)[AuCl4]Cl.H2O, 1, and 2-amino-6-oxo-6,7-dihydro-1H-purin-9-ium tetrachloridogold(III) hemihydrate, (C5H6N5O)[AuCl4].0.5H(2)O, 2. Their crystal structures were studied using single-crystal X-ray diffraction and FT-IR spectroscopic techniques. The arrangement of species in the studied crystal structures implies pi-stacking interactions, as well as concomitant C-H...pi interactions, hydrogen bonds and other types of noncovalent interactions, which were studied qualitatively and quantitatively using the method of molecular Voronoi-Dirichlet polyhedra. The variation of the nitrogenous base from adenine to guanine results in evident differences in the packing of the species in the crystals of 1 and 2. The splitting and shifting of bands in the FT-IR spectra of the title compounds reveals several features representative of noncovalent interactions in their crystal structures.