Information card for entry 7225957

Structure parameters

• Formula: C9 H8 Br N O
• Calculated formula: C9 H8 Br N O
• SMILES: BrC1C(=O)N(c2c1cccc2)C
• Title of publication: NBS-Mediated dinitrogen extrusion of diazoacetamides under catalyst-free conditions: a practical access to the 3-bromooxindole derivatives
• Authors of publication: Xu, Xinfang; Wang, Xiangbo; Dong, Kuiyong; Yan, Bin; Zhang, Cheng; Qiu, Lihua
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.9498 ± 0.0004 Å
• b: 8.2018 ± 0.0003 Å
• c: 16.5817 ± 0.0005 Å
• α: 90°
• β: 97.327 ± 0.003°
• γ: 90°
• Cell volume: 1746.79 ± 0.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No