Information card for entry 2227339

Structure parameters

• Chemical name: 2-Aminopyrimidinium 4-hydroxypyridinium-2,6-dicarboxylate monohydrate
• Formula: C11 H12 N4 O6
• Calculated formula: C11 H12.002 N4 O6.001
• Title of publication: 2-Aminopyrimidinium 4-hydroxypyridinium-2,6-dicarboxylate monohydrate
• Authors of publication: Eshtiagh-Hosseini, Hossein; Mahjoobizadeh, Milad; Mirzaei, Masoud
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2210
• a: 17.822 ± 0.002 Å
• b: 12.2233 ± 0.0014 Å
• c: 12.0676 ± 0.0014 Å
• α: 90°
• β: 103.345 ± 0.002°
• γ: 90°
• Cell volume: 2557.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes