Information card for entry 2228027

Structure parameters

• Common name: 1H-imidazole
• Chemical name: 4,5-Dimethyl-1,2-diphenyl-1<i>H</i>-imidazole monohydrate
• Formula: C17 H18 N2 O
• Calculated formula: C17 H18 N2 O
• Title of publication: 4,5-Dimethyl-1,2-diphenyl-1<i>H</i>-imidazole monohydrate
• Authors of publication: Gayathri, P.; Thiruvalluvar, A.; Saravanan, K.; Jayabharathi, J.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2219
• a: 25.5498 ± 0.0002 Å
• b: 25.5498 ± 0.0002 Å
• c: 9.3792 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6122.67 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes