Information card for entry 2230097

Structure parameters

• Chemical name: 5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline
• Formula: C10 H6 Cl3 N O2
• Calculated formula: C10 H6 Cl3 N O2
• SMILES: Clc1c2ccc(nc2c(c(Cl)c1Cl)O)OC
• Title of publication: 5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline
• Authors of publication: Chen, Qiu-Mao; Yi, Guo-Bin; An, Lin-Kun; Feng, Xiao-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1108
• a: 10.0782 ± 0.0003 Å
• b: 4.9979 ± 0.0001 Å
• c: 21.5827 ± 0.0006 Å
• α: 90°
• β: 99.287 ± 0.002°
• γ: 90°
• Cell volume: 1072.87 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes