Information card for entry 2229756

Structure parameters

• Chemical name: 2-Aminopyrimidinium hydrogen sulfate
• Formula: C4 H7 N3 O4 S
• Calculated formula: C4 H7 N3 O4 S
• SMILES: S(=O)(=O)(O)[O-].Nc1[nH+]cccn1
• Title of publication: 2-Aminopyrimidinium hydrogen sulfate
• Authors of publication: Elboulali, Adel; Akriche, Samah Toumi; 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: o1013
• a: 8.388 ± 0.002 Å
• b: 5.208 ± 0.003 Å
• c: 18.468 ± 0.004 Å
• α: 90°
• β: 112.84 ± 0.02°
• γ: 90°
• Cell volume: 743.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes