Information card for entry 2235679

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(4-Fluorobenzylimino)methyl]-4-methylphenol
• Formula: C15 H14 F N O
• Calculated formula: C15 H14 F N O
• SMILES: c1(/C=N/Cc2ccc(F)cc2)c(O)ccc(c1)C
• Title of publication: 2-[(<i>E</i>)-(4-Fluorobenzylimino)methyl]-4-methylphenol
• Authors of publication: Jin, Yue-Bao; Zhang, Ying; Chang, Yong-Kang; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2149
• a: 15.0297 ± 0.0009 Å
• b: 6.1496 ± 0.0003 Å
• c: 14.309 ± 0.0009 Å
• α: 90°
• β: 104.142 ± 0.006°
• γ: 90°
• Cell volume: 1282.45 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No