Information card for entry 2239146

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1<i>H</i>-imidazole
• Formula: C18 H17 F N2 O
• Calculated formula: C18 H17 F N2 O
• SMILES: COc1cccc(c1)n1c(C)c(nc1c1ccc(cc1)F)C
• Title of publication: 2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1<i>H</i>-imidazole
• Authors of publication: Rizwana Begum, S.; Hema, R.; Srinivasan, N.; Anitha, A. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o14
• a: 8.1196 ± 0.0005 Å
• b: 9.6014 ± 0.0006 Å
• c: 10.6116 ± 0.0006 Å
• α: 106.818 ± 0.003°
• β: 92.059 ± 0.003°
• γ: 96.114 ± 0.003°
• Cell volume: 785.45 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes