Information card for entry 2226155

Structure parameters

• Common name: 2-Amino-5-methylpyridinium hydrogen malonate
• Chemical name: 2-Amino-5-methylpyridinium 2-carboxyacetate
• Formula: C9 H12 N2 O4
• Calculated formula: C9 H12 N2 O4
• SMILES: [nH+]1c(N)ccc(c1)C.O=C([O-])CC(=O)O
• Title of publication: 2-Amino-5-methylpyridinium 2-carboxyacetate
• 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: o1480 - o1481
• a: 3.8082 ± 0.0013 Å
• b: 16.963 ± 0.005 Å
• c: 15.372 ± 0.005 Å
• α: 90°
• β: 95.436 ± 0.009°
• γ: 90°
• Cell volume: 988.5 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0806
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes