Information card for entry 2224816

Structure parameters

• Chemical name: 2-Aminopyrimidinium nitrate
• Formula: C4 H6 N4 O3
• Calculated formula: C4 H6 N4 O3
• SMILES: O=N(=O)[O-].[nH+]1c(nccc1)N
• Title of publication: 2-Aminopyrimidinium nitrate
• Authors of publication: Cheng, Xiao-Li; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o127
• a: 12.632 ± 0.002 Å
• b: 6.216 ± 0.0008 Å
• c: 17.727 ± 0.002 Å
• α: 90°
• β: 99.009 ± 0.003°
• γ: 90°
• Cell volume: 1374.8 ± 0.3 ų
• Cell temperature: 293 ± 2 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: 0.0575
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes