Information card for entry 2311298

Structure parameters

• Common name: 2-Aminopyridinium 6-chloronicotinate
• Chemical name: 2-Aminopyridinium 6-chloropyridine-3-carboxylate
• Formula: C11 H10 Cl N3 O2
• Calculated formula: C11 H10 Cl N3 O2
• SMILES: [nH+]1ccccc1N.Clc1ncc(cc1)C(=O)[O-]
• Title of publication: Crystal structure of 2-amino-pyridinium 6-chloro-nicotinate.
• Authors of publication: Jasmine, N. Jeeva; Rajam, A.; Muthiah, P. Thomas; Stanley, N.; Razak, I. Abdul; Rosli, M. Mustaqim
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 9
• Pages of publication: o655 - 6
• a: 8.6844 ± 0.0004 Å
• b: 10.8112 ± 0.0005 Å
• c: 11.9235 ± 0.0006 Å
• α: 90°
• β: 95.2046 ± 0.0009°
• γ: 90°
• Cell volume: 1114.87 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0328
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No