Information card for entry 2212925

Structure parameters

• Chemical name: 1-(2',4'-Difluorophenyl)-2-(1H-imidazol-1-yl)ethanone
• Formula: C11 H8 F2 N2 O
• Calculated formula: C11 H8 F2 N2 O
• SMILES: Fc1ccc(C(=O)Cn2ccnc2)c(F)c1
• Title of publication: 1-(2,4-Difluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanone
• Authors of publication: Lin Yuan; Xiao Tao; Bin Xu; Wenyuan Wu; Wang, Jin-tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1640 - o1641
• a: 8.077 ± 0.0016 Å
• b: 10.045 ± 0.002 Å
• c: 12.238 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 992.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes