Information card for entry 2227683

Structure parameters

• Chemical name: 8-Hydroxyquinolin-1-ium nitrate
• Formula: C9 H8 N2 O4
• Calculated formula: C9 H8 N2 O4
• SMILES: Oc1c2[nH+]cccc2ccc1.O=N(=O)[O-]
• Title of publication: 8-Hydroxyquinolin-1-ium nitrate
• Authors of publication: Loh, Wan-Sin; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2907 - o2908
• a: 11.3186 ± 0.0002 Å
• b: 6.7568 ± 0.0001 Å
• c: 14.5006 ± 0.0002 Å
• α: 90°
• β: 128.882 ± 0.001°
• γ: 90°
• Cell volume: 863.27 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0372
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes