Information card for entry 7052533

Structure parameters

• Common name: 2,4-ditertbutyl-6-((2-hydroxymethylphenylimino)methyl) phenol
• Chemical name: 2,4-ditertbutyl-6-[(2-hydroxymethylphenylimino)methyl] phenol
• Formula: C22 H29 N O2
• Calculated formula: C22 H29.0005 N O2.0005
• Title of publication: X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond
• Authors of publication: Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 156
• a: 10.2518 ± 0.0002 Å
• b: 10.4845 ± 0.0002 Å
• c: 19.6987 ± 0.0004 Å
• α: 95.9376 ± 0.0007°
• β: 104.155 ± 0.0008°
• γ: 92.2975 ± 0.0008°
• Cell volume: 2037.31 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No