• Title of article

    fac-Tri­aqua­(1,10-phenanthroline-κ2N,N′)(sulfato-κO)cobalt(II): crystal structure, Hirshfeld surface analysis and computational study

  • Author/Authors

    Setifi, Zouaoui Département de Technologie - Faculté de Technologie - Université 20 Août 1955-Skikda, Algeria , Kwong, Huey Chong Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia , Tiekink, Edward R. T. Research Centre for Crystalline Materials - School of Science and Technology - Sunway University, Malaysia , Maris, Thierry Department of Chemistry - Université de Montréal, Canada , Setifi, Fatima Département de Technologie - Faculté de Technologie - Université 20 Août 1955-Skikda, Algeria

  • Pages
    11
  • From page
    1
  • To page
    11
  • Abstract
    The CoII atom in the title complex, [Co(SO4)(C12H8N2)(H2O)3] (or C12H14CoN2O7S), is octa­hedrally coordinated within a cis-N2O4 donor set defined by the chelating N-donors of the 1,10-phenanthroline ligand, sulfate-O and three aqua-O atoms, the latter occupying an octa­hedral face. In the crystal, supra­molecular layers lying parallel to (110) are sustained by aqua-O—H⋯O(sulfate) hydrogen bonding. The layers stack along the c-axis direction with the closest directional inter­action between them being a weak phenanthroline-C—H⋯O(sulfate) contact. There are four significant types of contact contributing to the calculated Hirshfeld surface: at 44.5%, the major contribution comes from O—H⋯O contacts followed by H⋯H (28.6%), H⋯C/C⋯H (19.5%) and C⋯C (5.7%) contacts. The dominance of the electrostatic potential force in the mol­ecular packing is also evident in the calculated energy frameworks. The title complex is isostructural with its manganese, zinc and cadmium containing analogues and isomeric with its mer-tri­aqua analogue.
  • Keywords
    crystal structure , cobalt(II) , hydrogen bonding , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Record number

    2623582