Information card for entry 2239690

Structure parameters

• Chemical name: 2,3-Dimethylquinazolin-4(3<i>H</i>)-one
• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: n1(c(=O)c2c(nc1C)cccc2)C
• Title of publication: 2,3-Dimethylquinazolin-4(3<i>H</i>)-one
• Authors of publication: Saitkulov, Fozil E.; Tashniyazov, Azamat A.; Mamadrahimov, Azimjon A.; Shakhidoyatov, Kh. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o788
• a: 4.826 ± 0.002 Å
• b: 7.919 ± 0.003 Å
• c: 23.06 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 881.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes