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Published on: February 15, 2016
Crystal structure and Hirshfeld surface analysis of 2-methyl-quinazolin-4(3H)-one hydro-chloride
Muzaffar Davlatboev1, Sevara Allabergenova2, Fazliddin Zulpanov2
1Namangan State University, Boburshoh str. 161, Namangan, 160107, Uzbekistan.
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 surface contacts are from H⋯H (36.1%), H⋯C/C⋯H (25.8%), and H⋯O/O⋯H (17.7%) inter-actions.
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