Information card for entry 1520466

Structure parameters

• Formula: C15 H12 Br N O2
• Calculated formula: C15 H12 Br N O2
• SMILES: C1(=O)C(=C/c2ccc(cc2)Br)/c2ccccc2N1.O
• Title of publication: Bromo Oxindole
• Authors of publication: Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1505
• a: 19.623 ± 0.003 Å
• b: 4.071 ± 0.0005 Å
• c: 32.979 ± 0.004 Å
• α: 90°
• β: 101.698 ± 0.003°
• γ: 90°
• Cell volume: 2579.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1204
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No