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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.

SUBMITTER: Zagidullin KA

PROVIDER: S-EPMC10439422 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature

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

Zagidullin Karim A KA Novikov Anton P AP Zelenina Daria A DA Grigoriev Mikhail S MS German Konstantin E KE

Acta crystallographica. Section E, Crystallographic communications 20230616 Pt 7

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⋯ ...[more]

PMID: 37601582

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