Information card for entry 2211296

Structure parameters

• Chemical name: 2-Diethylamino-3-phenylquinazolin-4(3H)-one
• Formula: C18 H19 N3 O
• Calculated formula: C18 H19 N3 O
• SMILES: c12ccccc1c(=O)n(c(n2)N(CC)CC)c1ccccc1
• Title of publication: 2-Diethylamino-3-phenylquinazolin-4(3<i>H</i>)-one
• Authors of publication: Chang Xie; Hong-Xia Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5632 - o5633
• a: 8.4259 ± 0.0007 Å
• b: 10.9029 ± 0.0009 Å
• c: 33.263 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3055.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes