Information card for entry 2236954

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium trifluoroacetate
• Formula: C8 H9 F3 N2 O2
• Calculated formula: C8 H9 F3 N2 O2
• Title of publication: 2-Amino-5-methylpyridinium trifluoroacetate
• Authors of publication: Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3319 - o3320
• a: 18.725 ± 0.004 Å
• b: 4.6256 ± 0.001 Å
• c: 11.319 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 980.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes