Information card for entry 2235132

Structure parameters

• Chemical name: 2-Amino-3-carboxypyridinium perchlorate
• Formula: C6 H7 Cl N2 O6
• Calculated formula: C6 H7 Cl N2 O6
• SMILES: Cl(=O)(=O)(=O)[O-].O=C(O)c1c([nH+]ccc1)N
• Title of publication: 2-Amino-3-carboxypyridinium perchlorate
• Authors of publication: Berrah, Fadila; Bouacida, Sofiane; Anana, Hayet; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1601 - o1602
• a: 17.3573 ± 0.0012 Å
• b: 5.08 ± 0.0004 Å
• c: 21.6293 ± 0.0017 Å
• α: 90°
• β: 107.239 ± 0.002°
• γ: 90°
• Cell volume: 1821.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes