Information card for entry 8107555

Structure parameters

• Formula: C6 H7 Cl N2 O6
• Calculated formula: C6 H7 Cl N2 O6
• SMILES: C(=O)(c1cc([nH+]cc1)N)O.Cl(=O)(=O)(=O)[O-]
• Title of publication: The crystal structure of 2-amino-4-carboxypyridin-1-ium perchlorate, C6H7ClN2O6
• Authors of publication: Zhang, Tao; Luo, Yingchun; Hu, Hailiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 763 - 764
• a: 5.3033 ± 0.0006 Å
• b: 8.8875 ± 0.001 Å
• c: 10.3403 ± 0.0012 Å
• α: 73.427 ± 0.01°
• β: 85.158 ± 0.01°
• γ: 73.284 ± 0.01°
• Cell volume: 447.38 ± 0.09 ų
• Cell temperature: 292.99 ± 0.1 K
• Ambient diffraction temperature: 292.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No