Information card for entry 2241385

Structure parameters

• Chemical name: 5-Bromo-1-ethylindoline-2,3-dione
• Formula: C10 H8 Br N O2
• Calculated formula: C10 H8 Br N O2
• SMILES: Brc1cc2c(cc1)N(C(=O)C2=O)CC
• Title of publication: Crystal structure of 5-bromo-1-ethylindoline-2,3-dione
• Authors of publication: Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1024 - o1025
• a: 9.5198 ± 0.0003 Å
• b: 10.0655 ± 0.0003 Å
• c: 11.2341 ± 0.0003 Å
• α: 70.9288 ± 0.0016°
• β: 75.4109 ± 0.0016°
• γ: 85.2199 ± 0.0016°
• Cell volume: 984.58 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes