Information card for entry 2233343

Structure parameters

• Chemical name: 1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanol
• Formula: C11 H11 F N2 O
• Calculated formula: C11 H11 F N2 O
• SMILES: Fc1ccc(cc1)[C@@H](O)Cn1ccnc1
• Title of publication: 1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanol
• Authors of publication: Liu, Dong-liang; Li, Chen; Tian, Xin; Li, Song; Xiao, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o152
• a: 7.122 ± 0.0014 Å
• b: 5.469 ± 0.0011 Å
• c: 12.981 ± 0.003 Å
• α: 90°
• β: 98.13 ± 0.03°
• γ: 90°
• Cell volume: 500.53 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes