Information card for entry 2229998

Structure parameters

• Chemical name: 2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol
• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• SMILES: N(=C\c1c(O)c(OCC)ccc1)/c1ncccc1C
• Title of publication: 2-Ethoxy-6-[(3-methylpyridin-2-yl)iminomethyl]phenol
• Authors of publication: Yuan, Xiao-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1064
• a: 4.82 ± 0.001 Å
• b: 38.385 ± 0.003 Å
• c: 7.207 ± 0.002 Å
• α: 90°
• β: 96.381 ± 0.002°
• γ: 90°
• Cell volume: 1325.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1694
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes