Information card for entry 2010778

Structure parameters

• Chemical name: 2-Amino-5-carboxypyridinium chloride
• Formula: C6 H7 Cl N2 O2
• Calculated formula: C6 H7 Cl N2 O2
• SMILES: [Cl-].[nH+]1c(N)ccc(c1)C(=O)O
• Title of publication: 6-Aminonicotinic acid hydrochloride
• Authors of publication: John Giantsidis; Mark M. Turnbull
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 334 - 335
• a: 6.844 ± 0.002 Å
• b: 6.908 ± 0.002 Å
• c: 9.061 ± 0.003 Å
• α: 101.398 ± 0.004°
• β: 90.799 ± 0.004°
• γ: 112.515 ± 0.003°
• Cell volume: 386 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes