Information card for entry 2023358

Structure parameters

• Common name: 2-Methylquinazolin-4(3<i>H</i>)-one hydrochloride
• Chemical name: 2-Methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride
• Formula: C9 H9 Cl N2 O
• Calculated formula: C9 H9 Cl N2 O
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-methylquinazolin-4(3H)-one hydrochloride
• Authors of publication: Davlatboev, Muzaffar; Allabergenova, Sevara; Zulpanov, Fazliddin; Yakubov, Ubaydullo; Tojiboev, Akmaljon; Sattarov, Tulkinjon
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 10.1221 ± 0.0005 Å
• b: 13.6533 ± 0.0004 Å
• c: 6.6248 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 915.55 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No