Information card for entry 2227121

Structure parameters

• Chemical name: 4-Aminopyridinium 4-carboxybutanoate
• Formula: C10 H14 N2 O4
• Calculated formula: C10 H14 N2 O4
• SMILES: OC(=O)CCCC(=O)[O-].[nH+]1ccc(N)cc1
• Title of publication: 4-Aminopyridinium 4-carboxybutanoate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Rajakannan, Venkatachalam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2108
• a: 9.6159 ± 0.0002 Å
• b: 10.3065 ± 0.0002 Å
• c: 22.6801 ± 0.0005 Å
• α: 90°
• β: 102.143 ± 0.001°
• γ: 90°
• Cell volume: 2197.45 ± 0.08 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: 0.0805
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes