Information card for entry 1543475

Structure parameters

• Chemical name: 5-Bromo-1-(6-bromohexyl)indoline-2,3-dione
• Formula: C14 H15 Br2 N O2
• Calculated formula: C14 H15 Br2 N O2
• SMILES: Brc1ccc2c(c1)C(=O)C(=O)N2CCCCCCBr
• Title of publication: 5-Bromo-1-(6-bromohexyl)indoline-2,3-dione
• Authors of publication: Kharbach, Yassine; 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: 6
• Pages of publication: x160883
• a: 4.6344 ± 0.0002 Å
• b: 12.6284 ± 0.0006 Å
• c: 25.3537 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1483.83 ± 0.12 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes