Information card for entry 2214382

Structure parameters

• Chemical name: 6-Amino-4-(3-nitrophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile ethanol solvate
• Formula: C15 H13 N5 O4
• Calculated formula: C15 H13 N5 O4
• Title of publication: 6-Amino-4-(3-nitrophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile ethanol solvate
• Authors of publication: Jia-Ning Xu; Run-Hong Jia; Shu-Jiang Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3342 - o3343
• a: 13.079 ± 0.003 Å
• b: 14.764 ± 0.004 Å
• c: 16.693 ± 0.004 Å
• α: 90°
• β: 90.923 ± 0.004°
• γ: 90°
• Cell volume: 3223 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes