Information card for entry 2221029

Structure parameters

• Chemical name: 2-Bromo-5,7-dimethoxy-4-phenylquinoline
• Formula: C17 H14 Br N O2
• Calculated formula: C17 H14 Br N O2
• SMILES: COc1cc(OC)cc2c1c(cc(n2)Br)c1ccccc1
• Title of publication: 2-Bromo-5,7-dimethoxy-4-phenylquinoline
• Authors of publication: Gopal, Veshal; Bhadbhade, Mohan; Chan, Daniel Shiu Hin; Leu, Chao-wei; Black, David StC; Kumar, Naresh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o635
• a: 9.7698 ± 0.0002 Å
• b: 9.9799 ± 0.0003 Å
• c: 14.8076 ± 0.0004 Å
• α: 93.499 ± 0.001°
• β: 95.154 ± 0.001°
• γ: 91.838 ± 0.001°
• Cell volume: 1434.22 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes