Information card for entry 2227415

Structure parameters

• Chemical name: 2-Amino-4,6-dimethylpyridinium benzoate
• Formula: C14 H16 N2 O2
• Calculated formula: C14 H16 N2 O2
• Title of publication: 2-Amino-4,6-dimethylpyridinium benzoate
• Authors of publication: Asaruddin, Mohd Razip; Wahab, Habibah A.; Mohamed, Nornisah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2496
• a: 7.5362 ± 0.0016 Å
• b: 22.937 ± 0.004 Å
• c: 8.2124 ± 0.0014 Å
• α: 90°
• β: 109.82 ± 0.002°
• γ: 90°
• Cell volume: 1335.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes