Information card for entry 2008073

Structure parameters

• Chemical name: 5-benzoyl-1-ethyl-4-phenylpyrimidine-2-one
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: O=c1n(cc(c(n1)c1ccccc1)C(=O)c1ccccc1)CC
• Title of publication: 5-Benzoyl-1-ethyl-4-phenyl-1<i>H</i>-pyrimidin-2-one
• Authors of publication: Sema Öztürk; Mehmet Akkurt; İbrahim Abdul Razak; Hoong-Kun Fun; İsmail Yıldırım
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 97 - 99
• a: 8.4254 ± 0.0004 Å
• b: 17.2278 ± 0.0006 Å
• c: 10.9291 ± 0.0003 Å
• α: 90°
• β: 96.164 ± 0.002°
• γ: 90°
• Cell volume: 1577.2 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1788
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.0905
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No