Information card for entry 7052535

Structure parameters

• Common name: (1R,2S)-2-((2-hydroxy-1,2-diphenyl-ethylimino)-methyl)-phenol
• Chemical name: (1R,2S)-2-[(2-hydroxy-1,2-diphenyl-ethylimino)-methyl]-phenol
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• SMILES: c1(ccccc1/C=N/[C@@H]([C@H](c1ccccc1)O)c1ccccc1)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: 6.1478 ± 0.0002 Å
• b: 7.5477 ± 0.0002 Å
• c: 36.0798 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1674.17 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No