• Title of article

    Isoquinolinium 5-(2,4-di­nitro­phen­yl)-1,3-di­methyl-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate: crystal structure, Hirshfeld surface analysis and pharmacological evaluation

  • Author/Authors

    Poornima Devi, Ponnusamy PG and Research Department of Chemistry - Seethalakshmi Ramaswami College, India , Kalaivani, Doraisamyraja PG and Research Department of Chemistry - Seethalakshmi Ramaswami College, India

  • Pages
    11
  • From page
    1
  • To page
    11
  • Abstract
    The asymmetric unit of the title salt C9H8N+·C12H9N4O7−, which exhibits anti­convulsant and hypnotic activities, comprises one anion and one cation inter­acting via an N—H⋯O hydrogen bond. In the anion, the six-membered rings are inclined each to other at 42.78 (9)°. The nitro groups in the 2,4-di­nitro­phenyl fragment attached to the aromatic ring in the para and ortho positions are twisted from its plane by 3.1 (2) and 45.5 (2)°, respectively. In the crystal, weak C—H⋯O hydrogen bonds consolidate the crystal packing. The Hirshfeld surface analysis revealed that O⋯H/H⋯O inter­molecular contacts predominate in the crystal packing.
  • Keywords
    crystal structure , 3D Hirshfeld analysis , 1,3-di­methyl­barbituric acid , anti­convulsant activity , hypnotic activity
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2016
  • Record number

    2617770