Information card for entry 2023110

Structure parameters

• Chemical name: 2-[(4-Hydroxyphenyl)amino]-5,5-diphenyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one
• Formula: C21 H17 N3 O2
• Calculated formula: C21 H17 N3 O2
• SMILES: O=C1N=C(NC1(c1ccccc1)c1ccccc1)Nc1ccc(O)cc1
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(4-hydroxyphenyl)amino]-5,5-diphenyl-1H-imidazol-4(5H)-one
• Authors of publication: El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Mague, Joel T.; Alsubari, Abdulsalam; Alzahrani, Abdullah Yahya Abdullah; Ramli, Youssef
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 17.764 ± 0.003 Å
• b: 8.4429 ± 0.0012 Å
• c: 11.6601 ± 0.0016 Å
• α: 90°
• β: 100.948 ± 0.004°
• γ: 90°
• Cell volume: 1717 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No