Information card for entry 2206214

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium phosphate
• Formula: C6 H11 N2 O4 P
• Calculated formula: C6 H11 N2 O4 P
• SMILES: OP(=O)([O-])O.Cc1c[nH+]c(N)cc1
• Title of publication: 2-Amino-5-methylpyridinium phosphate
• Authors of publication: Hai Feng; Cui-Rong Sun; Li Li; Zhi-Min Jin; Bin Tu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o1983 - o1984
• a: 7.985 ± 0.0005 Å
• b: 10.9104 ± 0.0006 Å
• c: 11.1556 ± 0.0007 Å
• α: 90°
• β: 108.414 ± 0.002°
• γ: 90°
• Cell volume: 922.11 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No