Information card for entry 7160910

Structure parameters

• Common name: 1-(4-bromophenyl)isatin
• Chemical name: 1-(4-bromophenyl)indoline-2,3-dione
• Formula: C14 H8 Br N O2
• Calculated formula: C14 H8 Br N O2
• Title of publication: Copper-catalyzed N-arylation of Isatins Employing Aryl(TMP)iodonium Salts
• Authors of publication: Rakshit, Ankita J.; Saikia, Raktim Abha; Deka, Snata; Thakur, Ashim Jyoti
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 3.938 ± 0.006 Å
• b: 13.9 ± 0.02 Å
• c: 43.76 ± 0.06 Å
• α: 98.65 ± 0.05°
• β: 88.67 ± 0.05°
• γ: 89.92 ± 0.05°
• Cell volume: 2367 ± 6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.2525
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.3318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No