Information card for entry 2233852

Structure parameters

• Chemical name: 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl benzoate
• Formula: C23 H18 N2 O3
• Calculated formula: C23 H18 N2 O3
• SMILES: O(C(=O)c1ccccc1)c1cccc2c1nc(n(c2=O)c1ccccc1C)C
• Title of publication: 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl benzoate
• Authors of publication: El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o732 - o733
• a: 20.3847 ± 0.0004 Å
• b: 7.4352 ± 0.0001 Å
• c: 12.7829 ± 0.0003 Å
• α: 90°
• β: 107.489 ± 0.002°
• γ: 90°
• Cell volume: 1847.87 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes