Information card for entry 2205300

Structure parameters

• Chemical name: 5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)-1-[1-(4- methoxyphenyl)ethylideneamino]pyrimidin-2(1H)-one
• Formula: C28 H25 N3 O5
• Calculated formula: C28 H25 N3 O5
• SMILES: COc1ccc(cc1)/C(=N/n1cc(C(=O)c2ccc(cc2)OC)c(nc1=O)c1ccc(cc1)OC)C
• Title of publication: 5-(4-Methoxybenzoyl)-4-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)ethylideneamino]pyrimidin-2(1<i>H</i>)-one
• Authors of publication: Özçelik, Suzan; Dinçer, Muharrem; Sarıpınar, Emin; Yılmaz, Çiğdem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o622 - o624
• a: 8.901 ± 0.001 Å
• b: 10.506 ± 0.0012 Å
• c: 14.5942 ± 0.0015 Å
• α: 92.522 ± 0.009°
• β: 104.923 ± 0.008°
• γ: 106.33 ± 0.008°
• Cell volume: 1255.5 ± 0.3 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: 0.0851
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes