Information card for entry 2204419

Structure parameters

• Chemical name: N-(5-Benzoyl-2-oxo-4-phenyl-1,2-dihydropyrimidin-1-yl)benzamide
• Formula: C24 H17 N3 O3
• Calculated formula: C24 H17 N3 O3
• SMILES: O=C(Nn1cc(C(=O)c2ccccc2)c(nc1=O)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-(5-Benzoyl-2-oxo-4-phenyl-1,2-dihydropyrimidin-1-yl)benzamide
• Authors of publication: Mehmet Akkurt; Sema Öztürk; Zülbiye Önal; Behzat Altural; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1844 - o1846
• a: 8.9688 ± 0.0005 Å
• b: 10.9081 ± 0.0004 Å
• c: 19.8159 ± 0.0011 Å
• α: 90°
• β: 100.841 ± 0.004°
• γ: 90°
• Cell volume: 1904.04 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0452
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No