Information card for entry 2225587

Structure parameters

• Chemical name: 2-Amino-4-methylpyridinium trifluoroacetate
• Formula: C8 H9 F3 N2 O2
• Calculated formula: C8 H9 F3 N2 O2
• SMILES: FC(F)(F)C(=O)[O-].[nH+]1ccc(cc1N)C
• Title of publication: 2-Amino-4-methylpyridinium trifluoroacetate: a monoclinic polymorph
• Authors of publication: Pourayoubi, Mehrdad; Toghraee, Maryam; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o844
• a: 8.5315 ± 0.0007 Å
• b: 11.4901 ± 0.0009 Å
• c: 9.7206 ± 0.0008 Å
• α: 90°
• β: 90.82 ± 0.001°
• γ: 90°
• Cell volume: 952.79 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes