Information card for entry 2230020

Structure parameters

• Common name: 1H-imidazole
• Chemical name: 1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1<i>H</i>-imidazole
• Formula: C19 H19 F N2
• Calculated formula: C19 H19 F N2
• SMILES: Fc1ccc(c2n(c(c(n2)C)C)c2cc(cc(c2)C)C)cc1
• Title of publication: 1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-4,5-dimethyl-1<i>H</i>-imidazole
• Authors of publication: Rosepriya, S.; Thiruvalluvar, A.; Jayabharathi, J.; Srinivasan, N.; Butcher, R. J.; Jasinski, J. P.; Golen, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1065
• a: 8.4226 ± 0.001 Å
• b: 9.5572 ± 0.001 Å
• c: 11.0351 ± 0.0011 Å
• α: 105.423 ± 0.009°
• β: 105.677 ± 0.009°
• γ: 95.781 ± 0.009°
• Cell volume: 810.06 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes