Information card for entry 2225128

Structure parameters

• Chemical name: 2-Amino-5-chloropyridinium hydrogen succinate
• Formula: C9 H11 Cl N2 O4
• Calculated formula: C9 H11 Cl N2 O4
• SMILES: Clc1ccc([nH+]c1)N.O=C([O-])CCC(=O)O
• Title of publication: 2-Amino-5-chloropyridinium hydrogen succinate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o464 - o465
• a: 5.2263 ± 0.0001 Å
• b: 13.5997 ± 0.0003 Å
• c: 14.9019 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1059.17 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes