Information card for entry 2226298

Structure parameters

• Common name: 2-amino-5-methylpyridinium picolinate 1.25-hydrate
• Chemical name: 2-Amino-5-methylpyridinium pyridine-2-carboxylate 1.25-hydrate
• Formula: C12 H14.25 N3 O2.63
• Calculated formula: C12 H14.25 N3 O2.625
• Title of publication: 2-Amino-5-methylpyridinium picolinate 0.63-hydrate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1420 - o1421
• a: 12.126 ± 0.003 Å
• b: 13.842 ± 0.003 Å
• c: 14.318 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2403.2 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes