title: Isoquinolinium 5-(2,4-di-nitro-phen-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate: crystal structure, Hirshfeld surface analysis and pharmacological evaluation.
abstract: The asymmetric unit of the title salt C9H8N(+)·C12H9N4O7 (-), which exhibits anti-convulsant and hypnotic activities, comprises one anion and one cation inter-acting 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-di-nitro-phenyl 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 inter-molecular contacts predominate in the crystal packing.
authors.affiliation: PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India.
authors.forename: Ponnusamy
authors.initials: P
authors.lastname: Poornima Devi
authors.affiliation: PG and Research Department of Chemistry, Seethalakshmi Ramaswami College, Tiruchirappalli 620 002, Tamil Nadu, India.
authors.forename: Doraisamyraja
authors.initials: D
authors.lastname: Kalaivani
keywords: 1,3-di­methyl­barbituric acid; 3D Hirshfeld analysis; anti­convulsant activity; crystal structure; hypnotic activity