Information card for entry 2222083

Structure parameters

• Chemical name: 2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Formula: C11 H14 N2 O
• Calculated formula: C11 H14 N2 O
• SMILES: Cc1ccc2c(c1)NC(NC2=O)(C)C
• Title of publication: 2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Authors of publication: Zhang, Ling; Shi, Daxin; Fan, Yanqiu; Qian, Dongfeng; Li, Jiarong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1345
• a: 19.538 ± 0.004 Å
• b: 10.104 ± 0.002 Å
• c: 20.735 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4093.3 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes