Information card for entry 2223165

Structure parameters

• Chemical name: 2-Aminopyridinium diphenylphosphinate monohydrate
• Formula: C17 H19 N2 O3 P
• Calculated formula: C17 H19 N2 O3 P
• SMILES: P(=O)([O-])(c1ccccc1)c1ccccc1.[nH+]1c(N)cccc1.O
• Title of publication: 2-Aminopyridinium diphenylphosphinate monohydrate
• Authors of publication: Nazari, Mohammad; Abbasi, Alireza; Nemati Kharat, Ali; Hantehzadeh, Mohammad Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2300
• a: 15.2716 ± 0.0019 Å
• b: 9.979 ± 0.002 Å
• c: 11.7671 ± 0.0015 Å
• α: 90°
• β: 103.073 ± 0.01°
• γ: 90°
• Cell volume: 1746.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes