Information card for entry 2223875

Structure parameters

• Chemical name: 2,4-Di-<i>tert</i>-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol
• Formula: C21 H25 F2 N O
• Calculated formula: C21 H25 F2 N O
• SMILES: Fc1cc(/N=C/c2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)c(F)cc1
• Title of publication: 2,4-Di-<i>tert</i>-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol
• Authors of publication: Çelik, Ömer; Kasumov, Veli T.; Şahin, Ertan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2786
• a: 6.423 ± 0.005 Å
• b: 17.386 ± 0.005 Å
• c: 17.337 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.319 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1936 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes