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Crystal structure and Hirshfeld surface analysis of 2-methylquinazolin-4(3<i>H</i>)-one hydrochloride

Muzaffar DavlatboevNamangan State University, Boburshoh str. 161, Namangan, 160107, UzbekistanSevara M. AllabergenovaInstitute of the Chemistry of Plant Substances, Uzbekistan Academy of Sciences, Mirzo Ulugbek Str. 77, Tashkent 100170, UzbekistanFazliddin A. ZulpanovInstitute of the Chemistry of Plant Substances, Uzbekistan Academy of Sciences, Mirzo Ulugbek Str. 77, Tashkent 100170, UzbekistanUbaydullo YakubovInstitute of the Chemistry of Plant Substances, Uzbekistan Academy of Sciences, Mirzo Ulugbek Str. 77, Tashkent 100170, UzbekistanAkmaljon TojiboevTulkinjon SattarovNamangan State University, Boburshoh str. 161, Namangan, 160107, Uzbekistan

Acta Crystallographica Section E Crystallographic Communicationsjournal2025en

ABI

Annotatsiya

The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), C 9 H 9 N 2 O + ·Cl − , has orthorhombic ( Pbcm ) symmetry. Except for two methyl H atoms, all atoms of the molecular cation are located about a mirror plane, making the quinazolinium moiety exactly planar. Individual molecules are arranged in (001) layers in the crystal. Supramolecular features include N—H...Cl hydrogen-bonding interactions, leading to zigzag chains along [010] with D 1 1 (2) and C 1 2 (6) graph-set motifs. Additionally, weak π–π stacking interactions 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%) interactions.

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Mavzular

Quinazolinone synthesis and applications Synthesis and Characterization of Heterocyclic Compounds Synthesis and biological activity

Identifikatorlar

DOI: 10.1107/s2056989025000258

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