Information card for entry 1543503

Structure parameters

• Chemical name: 1-(12-Bromododecyl)-5-chloroindoline-2,3-dione
• Formula: C20 H27 Br Cl N O2
• Calculated formula: C20 H27 Br Cl N O2
• SMILES: BrCCCCCCCCCCCCN1c2c(C(=O)C1=O)cc(Cl)cc2
• Title of publication: 1-(12-Bromododecyl)-5-chloroindoline-2,3-dione
• Authors of publication: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160971
• a: 8.0353 ± 0.0004 Å
• b: 8.3496 ± 0.0005 Å
• c: 17.1096 ± 0.0011 Å
• α: 84.491 ± 0.003°
• β: 78.086 ± 0.003°
• γ: 65.126 ± 0.002°
• Cell volume: 1018.94 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes