Information card for entry 2229705

Structure parameters

• Common name: 5,7-Dibromo-2-methyl-8-hydroxyquinoline
• Chemical name: 5,7-Dibromo-2-methylquinolin-8-ol
• Formula: C10 H7 Br2 N O
• Calculated formula: C10 H7 Br2 N O
• SMILES: Brc1c2ccc(nc2c(O)c(Br)c1)C
• Title of publication: 5,7-Dibromo-2-methylquinolin-8-ol
• Authors of publication: Schmidt, Nicole; Schwarzer, Anke; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o794
• a: 22.2221 ± 0.0005 Å
• b: 4.0479 ± 0.0001 Å
• c: 21.7221 ± 0.0004 Å
• α: 90°
• β: 102.167 ± 0.001°
• γ: 90°
• Cell volume: 1910.07 ± 0.07 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes