Information card for entry 7052530

Structure parameters

• Common name: 2,4-di-tert-butyl-6-((1-hydroxy-cyclohexylmethylimino)- methyl)-phenol
• Chemical name: 2,4-di-tert-butyl-6-[(1-hydroxy-cyclohexylmethylimino)-methyl]-phenol
• Formula: C22 H35 N O2
• Calculated formula: C22 H35 N O2
• SMILES: c1(c(cc(cc1/C=N/CC1(CCCCC1)O)C(C)(C)C)C(C)(C)C)O
• 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: 14.5103 ± 0.0002 Å
• b: 28.8821 ± 0.0004 Å
• c: 10.2616 ± 0.0001 Å
• α: 90°
• β: 92.184 ± 0.004°
• γ: 90°
• Cell volume: 4297.39 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1297
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No