Information card for entry 2022919

Structure parameters

• Chemical name: 1-(12-Bromododecyl)indoline-2,3-dione
• Formula: C20 H28 Br N O2
• Calculated formula: C20 H28 Br N O2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 1-(12-bromo-dodec-yl)indoline-2,3-dione.
• Authors of publication: Rharmili, Nohaila; Abdellaoui, Omar; Haoudi, Amal; Mague, Joel T.; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Kandri Rodi, Youssef; Mazzah, Ahmed; Sebbar, Nada Kheira
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 1033 - 1036
• a: 20.5385 ± 0.0005 Å
• b: 8.1977 ± 0.0002 Å
• c: 12.3185 ± 0.0003 Å
• α: 90°
• β: 105.231 ± 0.001°
• γ: 90°
• Cell volume: 2001.19 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes