Crystal structure and Hirshfeld surface analysis of 2-methyl-quinazolin-4(3<i>H</i>)-one hydro-chloride.

ABSTRACT: The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), C₉H₉N₂O⁺·Cl^-, has ortho-rhom-bic (Pbcm) symmetry. Except for two methyl H atoms, all atoms of the mol-ecular cation are located about a mirror plane, making the quinazolinium moiety exactly planar. Individual mol-ecules are arranged in (001) layers in the crystal. Supra-molecular features include N-H⋯Cl hydrogen-bonding inter-actions, leading to zigzag chains along [010] with D ₁ ¹(2) and C ₁ ²(6) graph-set motifs. Additionally, weak π-π stacking inter-actions occur between benzene rings in adjacent layers. Hirshfeld surface analysis revealed that the most important contributions to the

SUBMITTER: Davlatboev M 

PROVIDER: S-EPMC11799796 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature