Information card for entry 2214057

Structure parameters

• Chemical name: 9-(4-Methoxybenzoyl)-1,2,3,4-tetrahydro-6H-pyrido[1,2-a]pyrimidin-6-one
• Formula: C16 H16 N2 O3
• Calculated formula: C16 H16 N2 O3
• SMILES: O=c1n2CCCNc2c(cc1)C(=O)c1ccc(OC)cc1
• Title of publication: 9-(4-Methoxybenzoyl)-1,2,3,4-tetrahydro-6<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-6-one
• Authors of publication: Chu-Yi Yu; Xue-Ning Yuan; Zhi-Tang Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3186 - o3186
• a: 7.9544 ± 0.0018 Å
• b: 8.332 ± 0.0019 Å
• c: 11.063 ± 0.003 Å
• α: 77.913 ± 0.003°
• β: 73.384 ± 0.004°
• γ: 77.641 ± 0.004°
• Cell volume: 677.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0519
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes