Information card for entry 1543132

Structure parameters

• Chemical name: 1-(3-Bromopropyl)indoline-2,3-dione
• Formula: C11 H10 Br N O2
• Calculated formula: C11 H10 Br N O2
• SMILES: BrCCCN1c2ccccc2C(=O)C1=O
• Title of publication: 1-(3-Bromopropyl)indoline-2,3-dione
• Authors of publication: Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160593
• a: 7.7113 ± 0.0002 Å
• b: 8.1375 ± 0.0002 Å
• c: 17.8089 ± 0.0004 Å
• α: 90°
• β: 93.83 ± 0.0013°
• γ: 90°
• Cell volume: 1115.03 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes