Information card for entry 2019960

Structure parameters

• Chemical name: 4-[1-(2-Hydroxypropyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]benzoic acid
• Formula: C25 H22 N2 O3
• Calculated formula: C25 H22 N2 O3
• SMILES: O=C(O)c1ccc(c2nc(c(n2CC(O)C)c2ccccc2)c2ccccc2)cc1
• Title of publication: Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid
• Authors of publication: Jasinski, Jerry P.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o77
• a: 6.871 ± 0.0004 Å
• b: 10.7188 ± 0.0006 Å
• c: 14.9178 ± 0.0007 Å
• α: 103.569 ± 0.004°
• β: 93.094 ± 0.004°
• γ: 105.878 ± 0.005°
• Cell volume: 1019.03 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes