Information card for entry 2221025

Structure parameters

• Chemical name: 2-[(4-Ethylphenyl)iminomethyl]-3,5-dimethoxyphenol
• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: c1(cc(c(c(c1)OC)/C=N/c1ccc(cc1)CC)O)OC
• Title of publication: 2-[(4-Ethylphenyl)iminomethyl]-3,5-dimethoxyphenol
• Authors of publication: Şahin, Zarife Sibel; Erşahin, Ferda; Ağar, Ayşen Alaman; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o547
• a: 7.5026 ± 0.0005 Å
• b: 9.454 ± 0.0008 Å
• c: 21.4408 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.79 ± 0.19 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0898
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes