Information card for entry 2239864

Structure parameters

• Common name: 8-hydroxyquinoline
• Chemical name: 8-Hydroxyquinoline
• Formula: C9 H7 N O
• Calculated formula: C9 H7 N O
• SMILES: Oc1cccc2cccnc12
• Title of publication: Crystal structure of 8-hydroxyquinoline: a new monoclinic polymorph
• Authors of publication: Castañeda, Raúl; Antal, Sofia A.; Draguta, Sergiu; Timofeeva, Tatiana V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o924 - o925
• a: 6.62 ± 0.003 Å
• b: 9.243 ± 0.004 Å
• c: 11.07 ± 0.004 Å
• α: 90°
• β: 90.718 ± 0.006°
• γ: 90°
• Cell volume: 677.3 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes