Information card for entry 7152077

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: Oc1c2ccccc2ccc1/C=N/c1c(cccc1C)C
• Title of publication: Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.
• Authors of publication: Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 8268 - 8275
• a: 8.4367 ± 0.0003 Å
• b: 7.7374 ± 0.0003 Å
• c: 11.1697 ± 0.0005 Å
• α: 90°
• β: 90.964 ± 0.003°
• γ: 90°
• Cell volume: 729.03 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No