Information card for entry 7151981

Structure parameters

• Common name: 6-phenyl-4H-pyrido(1,2-a)pyrimidin-4-one
• Chemical name: 6-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• SMILES: O=c1ccnc2n1c(ccc2)c1ccccc1
• Title of publication: Suzuki-Miyaura cross-coupling reactions of halo derivatives of 4H-pyrido[1,2-a]pyrimidin-4-ones.
• Authors of publication: Molnár, Annamária; Kapros, Anita; Párkányi, László; Mucsi, Zoltán; Vlád, Gábor; Hermecz, István
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 19
• Pages of publication: 6559 - 6565
• a: 19.4658 ± 0.0004 Å
• b: 7.8017 ± 0.0001 Å
• c: 15.153 ± 0.0003 Å
• α: 90°
• β: 110.941 ± 0.001°
• γ: 90°
• Cell volume: 2149.23 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No