Information card for entry 2218500

Structure parameters

• Chemical name: 4-Bromo-8-methoxyquinoline
• Formula: C10 H8 Br N O
• Calculated formula: C10 H8 Br N O
• SMILES: Brc1ccnc2c1cccc2OC
• Title of publication: 4-Bromo-8-methoxyquinoline
• Authors of publication: Vasdev, Neil; Kulkarni, Padmakar V.; Wilson, Alan A.; Houle, Sylvain; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1117
• a: 5.1615 ± 0.0001 Å
• b: 12.1337 ± 0.0006 Å
• c: 14.2436 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.05 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes