Information card for entry 2233473

Structure parameters

• Chemical name: (<i>E</i>)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol
• Formula: C15 H14 F N O2
• Calculated formula: C15 H14 F N O2
• SMILES: Oc1ccc(cc1)CC/N=C/c1cc(F)ccc1O
• Title of publication: (<i>E</i>)-4-Fluoro-2-[(4-hydroxyphenethyl)iminomethyl]phenol
• Authors of publication: Fang, Rui-Qin; Song, Tao; Li, Yu-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o332
• a: 15.979 ± 0.003 Å
• b: 12.941 ± 0.003 Å
• c: 15.04 ± 0.003 Å
• α: 90°
• β: 121.72 ± 0.03°
• γ: 90°
• Cell volume: 2645.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes