Information card for entry 2242298

Structure parameters

• Chemical name: 1-[2-(4-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol
• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: n1(CC(O)C)c(c2ccc(N(=O)=O)cc2)nc(c2ccccc2)c1c1ccccc1
• Title of publication: Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol
• Authors of publication: Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1398 - 1401
• a: 12.307 ± 0.0004 Å
• b: 13.2871 ± 0.0004 Å
• c: 13.8499 ± 0.0003 Å
• α: 90.907 ± 0.002°
• β: 100.748 ± 0.002°
• γ: 109.938 ± 0.003°
• Cell volume: 2083.95 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes