Information card for entry 2209416

Structure parameters

• Common name: 9-(4-methyoxylbenzoyl)-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
• Chemical name: 9-(4-methyoxylbenzoyl)-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
• Formula: C16 H18 N2 O3
• Calculated formula: C16 H18 N2 O3
• SMILES: O=C1N2CCCNC2=C(CC1)C(=O)c1ccc(OC)cc1
• Title of publication: 9-(4-Methyoxylbenzoyl)-1,2,3,4,7,8-hexahydropyrido[1,2-<i>a</i>]pyrimidin-6-one
• Authors of publication: Tao Peng; Sheng-Jiao Yan; Chu-Yi Yu; Zhi-Tang Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3040 - o3041
• a: 7.5696 ± 0.0017 Å
• b: 9.725 ± 0.002 Å
• c: 10.446 ± 0.002 Å
• α: 88.964 ± 0.004°
• β: 77.971 ± 0.004°
• γ: 68.169 ± 0.003°
• Cell volume: 696.7 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes