Information card for entry 2235873

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol
• Formula: C15 H14 F N O2
• Calculated formula: C15 H14 F N O2
• SMILES: Fc1ccc(C/N=C/c2cccc(OC)c2O)cc1
• Title of publication: 2-[(<i>E</i>)-(4-Fluorobenzyl)iminomethyl]-6-methoxyphenol
• Authors of publication: Yu, Hong; Jin, Yue-Bao; Chang, Yong-Kang; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2401
• a: 20.5577 ± 0.0015 Å
• b: 5.5281 ± 0.0003 Å
• c: 13.1315 ± 0.0009 Å
• α: 90°
• β: 118.477 ± 0.009°
• γ: 90°
• Cell volume: 1311.77 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes