Information card for entry 2236530

Structure parameters

• Chemical name: 2,6-Diaminopyridinium dihydrogen phosphate
• Formula: C5 H10 N3 O4 P
• Calculated formula: C5 H10 N3 O4 P
• SMILES: [nH+]1c(N)cccc1N.P(=O)(O)([O-])O
• Title of publication: 2,6-Diaminopyridinium dihydrogen phosphate
• Authors of publication: Yu, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2751
• a: 7.4821 ± 0.0004 Å
• b: 8.111 ± 0.0002 Å
• c: 8.179 ± 0.0001 Å
• α: 70.811 ± 0.01°
• β: 74.98 ± 0.014°
• γ: 84.883 ± 0.015°
• Cell volume: 452.76 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0353
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes