Information card for entry 2023477

Structure parameters

• Chemical name: 5,5-Diphenyl-3-(2-propyn-1-yl)imidazolidine-2,4-dione
• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione.
• Authors of publication: El Moutaouakil Ala Allah, Abderrazzak; Massera, Chiara; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 412 - 416
• a: 11.3526 ± 0.0003 Å
• b: 12.0162 ± 0.0003 Å
• c: 13.3087 ± 0.0003 Å
• α: 97.08 ± 0.001°
• β: 114.406 ± 0.001°
• γ: 107.335 ± 0.001°
• Cell volume: 1513.47 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No