Information card for entry 2209776

Structure parameters

• Chemical name: 5-[(6-Methylpyridin-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• Formula: C13 H14 N2 O4
• Calculated formula: C13 H14 N2 O4
• Title of publication: 2,2-Dimethyl-5-[(6-methylpyridin-2-ylamino)methylene]-1,3-dioxane-4,6-dione
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3477 - o3478
• a: 17.101 ± 0.001 Å
• b: 7.354 ± 0.001 Å
• c: 21.375 ± 0.002 Å
• α: 90°
• β: 91.868 ± 0.009°
• γ: 90°
• Cell volume: 2686.7 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes