Information card for entry 2023280

Structure parameters

• Chemical name: 3-Benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione
• Formula: C25 H23 Br N2 O2
• Calculated formula: C25 H23 Br N2 O2
• Title of publication: Crystal structure and Hirshfeld surface analyses, crystal voids, intermolecular interaction energies and energy frameworks of 3-benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione
• Authors of publication: Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• a: 9.4306 ± 0.0003 Å
• b: 8.5084 ± 0.0003 Å
• c: 26.7891 ± 0.001 Å
• α: 90°
• β: 93.27 ± 0.001°
• γ: 90°
• Cell volume: 2146.04 ± 0.13 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: 0.0239
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No