Information card for entry 1545019

Structure parameters

• Chemical name: (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol
• Formula: C14 H14 N2 O
• Calculated formula: C14 H14 N2 O
• SMILES: Oc1c(/C=N/c2ncc(cc2)C)cccc1C
• Title of publication: (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol
• Authors of publication: Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x162009
• a: 23.44 ± 0.003 Å
• b: 4.6307 ± 0.0006 Å
• c: 10.6408 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1155 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes