Information card for entry 2217692

Structure parameters

• Chemical name: 2-Methyl-2-phenyl-1,2-dihydroquinazolin-4(3H)-one
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O=C1NC(Nc2c1cccc2)(c1ccccc1)C
• Title of publication: 2-Methyl-2-phenyl-1,2-dihydroquinazolin-4(3<i>H</i>)-one
• Authors of publication: Zhang, Lijun; Li, Jiarong; Yang, Xiquan; Shi, Daxin; Chen, Jinnan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o450 - o450
• a: 8.4891 ± 0.0007 Å
• b: 8.7741 ± 0.0008 Å
• c: 16.1351 ± 0.0016 Å
• α: 90°
• β: 93.543 ± 0.007°
• γ: 90°
• Cell volume: 1199.51 ± 0.19 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes