Information card for entry 2226724

Structure parameters

• Common name: 1H-imidazole
• Chemical name: 2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-4,5-dimethyl-1<i>H</i>-imidazole
• Formula: C18 H17 F N2 O
• Calculated formula: C18 H17 F N2 O
• SMILES: Fc1ccc(c2n(c(c(n2)C)C)c2ccc(OC)cc2)cc1
• Title of publication: 2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-4,5-dimethyl-1<i>H</i>-imidazole
• Authors of publication: Gayathri, P.; Jayabharathi, J.; Saravanan, K.; Thiruvalluvar, A.; Butcher, R.J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1791
• a: 8.5132 ± 0.0001 Å
• b: 9.5128 ± 0.0002 Å
• c: 19.261 ± 0.0003 Å
• α: 90°
• β: 96.798 ± 0.002°
• γ: 90°
• Cell volume: 1548.87 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes