Information card for entry 2222504

Structure parameters

• Chemical name: 8-bromo-2-methylquinoline
• Formula: C10 H8 Br N
• Calculated formula: C10 H8 Br N
• SMILES: Brc1c2nc(ccc2ccc1)C
• Title of publication: 8-Bromo-2-methylquinoline
• Authors of publication: Yang, Lin-Tao; Shen, Fang; Ye, Jiao; Wu, Tian-Quan; Hu, Ai-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1490
• a: 5.044 ± 0.0017 Å
• b: 13.467 ± 0.004 Å
• c: 13.391 ± 0.004 Å
• α: 90°
• β: 97.678 ± 0.004°
• γ: 90°
• Cell volume: 901.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1951
• 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