• Title of article

    Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)]

  • Author/Authors

    Hamdani, Hicham El Equipe Metallation - Complexes Moleculaires et Applications - Université Moulay Ismail - Faculté des Sciences, Morocco , Amane, Mohamed El Equipe Metallation - Complexes Moleculaires et Applications - Université Moulay Ismail - Faculté des Sciences, Morocco , Saadi, Mohamed Laboratoire de Chimie Appliquée des Matériaux - Centre des Sciences des Matériaux - Faculty of Sciences - Mohammed V University in Rabat, Morocco , El Ammari, Lahcen Laboratoire de Chimie Appliquée des Matériaux - Centre des Sciences des Matériaux - Faculty of Sciences - Mohammed V University in Rabat, Morocco

  • Pages
    8
  • From page
    1
  • To page
    8
  • Abstract
    In the title mol­ecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetra­hydro-1H-purin-9-ium aqua­tri­chlorido­zincate(II), (C7H9N4O2)[ZnCl3(H2O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 (3) Å. In the complex anion, the ZnII cation is coordinated by three chloride ions and one oxygen atom from the water ligand in a distorted tetra­hedral geometry. In the crystal, inversion dimers between pairs of cations linked by pairwise N—H⋯O hydrogen bonds generate R22(10) rings. The anions are linked into dimers by pairs of O—H⋯Cl hydrogen bonds and the respective dimers are linked by O—H⋯O and N—H⋯Cl hydrogen bonds. Together, these generate a three-dimensional supra­molecular network. Hirshfeld surfaces were generated to gain further insight into the packing.
  • Keywords
    crystal structure , mol­ecular salt , hydrogen bonding
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Record number

    2624249