Information card for entry 1543063

Structure parameters

• Chemical name: 1-Benzyl-5-bromoindoline-2,3-dione
• Formula: C15 H10 Br N O2
• Calculated formula: C15 H10 Br N O2
• SMILES: C1(=O)C(=O)c2cc(ccc2N1Cc1ccccc1)Br
• Title of publication: 1-Benzyl-5-bromoindoline-2,3-dione
• Authors of publication: Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160559
• a: 4.5205 ± 0.0001 Å
• b: 13.4538 ± 0.0003 Å
• c: 21.0436 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1279.83 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes