Synthesis, crystal structure and Hirshfeld surface analysis of bis-(caffeinium) hexa-chlorido-platinum(IV) in comparison with some related compounds.

ABSTRACT

The mol-ecular and crystal structure of the title compound, (C8H11N4O2)2[PtCl6], synthesized from hexa-chloro-platinic acid and caffeine in methanol, was studied by single-crystal X-ray diffraction. The caffeinium cations form a double layer via hydrogen bonds and π-stacking inter-actions. The Hirshfeld surface analysis showed that the largest contribution to the crystal packing is made by H⋯H (31.2%), H⋯Cl/Cl⋯H (22.6%), O⋯H/H⋯O (21.9%) contacts for the cation and H⋯Cl/Cl⋯H (79.3%) contacts for the anion.