Information card for entry 2006762

Structure parameters

• Common name: 8-hydroxyquinoline-O-sulfuric acid monohydrate
• Chemical name: 8-hydroxyquinoline-O-sulfuric acid monohydrate
• Formula: C9 H9 N O5 S
• Calculated formula: C9 H9 N O5 S
• SMILES: S(=O)(=O)(Oc1cccc2ccc[nH+]c12)[O-].O
• Title of publication: 8-Hydroxyquinoline-<i>O</i>-sulfuric Acid and its Monohydrate
• Authors of publication: Popek, Tomasz; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1983 - 1986
• a: 7.572 ± 0.004 Å
• b: 8.475 ± 0.004 Å
• c: 8.567 ± 0.004 Å
• α: 111.6 ± 0.05°
• β: 97.05 ± 0.04°
• γ: 99.53 ± 0.04°
• Cell volume: 493.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No