Information card for entry 2225204

Structure parameters

• Chemical name: 2-aminopyridinium trifluoroacetate
• Formula: C7 H7 F3 N2 O2
• Calculated formula: C7 H7 F3 N2 O2
• SMILES: [nH+]1ccccc1N.FC(F)(F)C(=O)[O-]
• Title of publication: 2-Aminopyridinium trifluoroacetate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o691 - o692
• a: 11.4641 ± 0.0015 Å
• b: 10.0221 ± 0.0013 Å
• c: 29.928 ± 0.004 Å
• α: 90°
• β: 92.918 ± 0.003°
• γ: 90°
• Cell volume: 3434.1 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0952
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes