Information card for entry 2229807

Structure parameters

• Chemical name: 2-Aminopyrimidinium dihydrogen phosphate monohydrate
• Formula: C4 H10 N3 O5 P
• Calculated formula: C4 H10 N3 O5 P
• SMILES: P(=O)([O-])(O)O.O.[nH+]1c(nccc1)N
• Title of publication: 2-Aminopyrimidinium dihydrogen phosphate monohydrate
• Authors of publication: Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o970 - o971
• a: 6.212 ± 0.003 Å
• b: 8.6 ± 0.004 Å
• c: 9.462 ± 0.002 Å
• α: 109.56 ± 0.03°
• β: 106.38 ± 0.02°
• γ: 95.5 ± 0.02°
• Cell volume: 446.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes