Information card for entry 7052531

Structure parameters

• Common name: 2-(((1-hydroxycyclohexyl)methylimino)methyl) phenol
• Chemical name: 2-{[(1-hydroxycyclohexyl)methylimino]methyl} phenol
• Formula: C14 H19 N O2
• Calculated formula: C14 H19 N O2
• SMILES: c1(ccccc1=CNCC1(CCCCC1)O)=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: 9.027 ± 0.0018 Å
• b: 6.23 ± 0.0012 Å
• c: 22.198 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1248.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No