Information card for entry 2226158

Structure parameters

• Common name: 2-Amino-5-chloropyridinium hydrogen malonate
• Chemical name: 2-Amino-5-chloropyridinium 2-carboxyacetate
• Formula: C8 H9 Cl N2 O4
• Calculated formula: C8 H9 Cl N2 O4
• SMILES: Clc1c[nH+]c(N)cc1.O=C([O-])CC(=O)O
• Title of publication: 2-Amino-5-chloropyridinium 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: o1496 - o1497
• a: 15.6971 ± 0.0019 Å
• b: 16.866 ± 0.002 Å
• c: 7.4662 ± 0.001 Å
• α: 90°
• β: 94.518 ± 0.003°
• γ: 90°
• Cell volume: 1970.5 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes