Information card for entry 2236533

Structure parameters

• Chemical name: 2-Amino-6-(quinoline-2-carboxamido)pyridinium nitrate
• Formula: C15 H13 N5 O4
• Calculated formula: C15 H13 N5 O4
• SMILES: c1(cccc(N)[nH+]1)NC(=O)c1ccc2ccccc2n1.N(=O)(=O)[O-]
• Title of publication: 2-Amino-6-(quinoline-2-carboxamido)pyridinium nitrate
• Authors of publication: Van der Berg, Phillipus C. W.; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2808
• a: 8.183 ± 0.002 Å
• b: 11.768 ± 0.003 Å
• c: 14.979 ± 0.004 Å
• α: 90°
• β: 98.37 ± 0.01°
• γ: 90°
• Cell volume: 1427.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes