Information card for entry 2243075

Structure parameters

• Chemical name: 5-Bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione
• Formula: C14 H15 Br Cl N O4
• Calculated formula: C14 H15 Br Cl N O4
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloroethoxy)ethoxy]ethyl}indoline-2,3-dione
• Authors of publication: Abdellaoui, Omar; Hökelek, Tuncer; Capet, Frédéric; Renard, Catherine; Haoudi, Amal; Skalli, Mohamed Khalid; Kandri Rodi, Youssef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• Pages of publication: 1372 - 1378
• a: 12.4682 ± 0.0004 Å
• b: 14.6397 ± 0.0005 Å
• c: 8.3524 ± 0.0003 Å
• α: 90°
• β: 91.392 ± 0.002°
• γ: 90°
• Cell volume: 1524.12 ± 0.09 ų
• Cell temperature: 299.65 K
• Ambient diffraction temperature: 299.65 K
• Number of distinct elements: 6
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes