Information card for entry 2233853

Structure parameters

• Chemical name: 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-methylbenzoate
• Formula: C24 H20 N2 O3
• Calculated formula: C24 H20 N2 O3
• SMILES: O(C(=O)c1ccc(cc1)C)c1cccc2c1nc(n(c2=O)c1ccccc1C)C
• Title of publication: 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-methylbenzoate
• 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: o734 - o735
• a: 18.8216 ± 0.0005 Å
• b: 7.6332 ± 0.0002 Å
• c: 13.3092 ± 0.0003 Å
• α: 90°
• β: 97.286 ± 0.002°
• γ: 90°
• Cell volume: 1896.68 ± 0.08 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: 0.0727
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes