Information card for entry 2227119

Structure parameters

• Common name: 2-Amino-4-methylpyridinium hydrogen fumarate
• Chemical name: 2-amino-4-methylpyridinium (<i>E</i>)-3-carboxyprop-2-enoate
• Formula: C10 H12 N2 O4
• Calculated formula: C10 H12 N2 O4
• SMILES: [nH+]1c(N)cc(cc1)C.O=C([O-])/C=C/C(=O)O
• Title of publication: 2-Amino-4-methylpyridinium (<i>E</i>)-3-carboxyprop-2-enoate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1962 - o1963
• a: 5.0058 ± 0.0016 Å
• b: 19.814 ± 0.007 Å
• c: 11.286 ± 0.004 Å
• α: 90°
• β: 108.332 ± 0.013°
• γ: 90°
• Cell volume: 1062.6 ± 0.6 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: 0.0659
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes