Information card for entry 2212293

Structure parameters

• Chemical name: 2-(Biphenyl-4-yl)-2,3-dihydroquinazolin-4(1H)-one
• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: N1C(=O)c2c(NC1c1ccc(c3ccccc3)cc1)cccc2
• Title of publication: 2-(Biphenyl-4-yl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Authors of publication: Maksymilian Chruszcz; Gary M. Chinigo; Scott M. Capitosti; Milton L. Brown; Wladek Minor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o891 - o893
• a: 15.485 ± 0.001 Å
• b: 9.025 ± 0.001 Å
• c: 11.042 ± 0.001 Å
• α: 90°
• β: 96.18 ± 0.01°
• γ: 90°
• Cell volume: 1534.2 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes