Information card for entry 2216536

Structure parameters

• Chemical name: 5-(4-Methylbenzoyl)-4-p-tolyl-1-(1-p-tolylethylideneamino)pyrimidin-2(1H)-one
• Formula: C28 H25 N3 O2
• Calculated formula: C28 H25 N3 O2
• SMILES: O=c1n(\N=C(/C)c2ccc(cc2)C)cc(c(n1)c1ccc(cc1)C)C(=O)c1ccc(cc1)C
• Title of publication: 5-(4-Methylbenzoyl)-4-<i>p</i>-tolyl-1-(1-<i>p</i>-tolylethylideneamino)pyrimidin-2(1<i>H</i>)-one
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Önal, Zülbiye; Korkusuz, Elif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4791 - o4792
• a: 8.0337 ± 0.0006 Å
• b: 10.5159 ± 0.0008 Å
• c: 14.6372 ± 0.0011 Å
• α: 90.814 ± 0.006°
• β: 103.78 ± 0.005°
• γ: 102.235 ± 0.006°
• Cell volume: 1170.98 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes