Information card for entry 2222172

Structure parameters

• Chemical name: 5-Chloro-8-hydroxyquinolinium nitrate
• Formula: C9 H7 Cl N2 O4
• Calculated formula: C9 H7 Cl N2 O4
• SMILES: Clc1c2ccc[nH+]c2c(O)cc1.O=N(=O)[O-]
• Title of publication: 5-Chloro-8-hydroxyquinolinium nitrate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1450
• a: 7.4379 ± 0.0003 Å
• b: 11.5518 ± 0.0006 Å
• c: 11.2288 ± 0.0005 Å
• α: 90°
• β: 95.831 ± 0.003°
• γ: 90°
• Cell volume: 959.8 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes