Information card for entry 2236038

Structure parameters

• Chemical name: (<i>E</i>)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-<i>tert</i>- butylphenol
• Formula: C20 H27 N3 O
• Calculated formula: C20 H27 N3 O
• SMILES: c1c(c(c(cc1C(C)(C)C)/C=N/c1c(nccc1)N)O)C(C)(C)C
• Title of publication: (<i>E</i>)-2-{[(2-Aminopyridin-3-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenol
• Authors of publication: Carreño, Alexander; Ladeira, Sonia; Castel, Annie; Vega, Andres; Chavez, Ivonne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2507 - o2508
• a: 16.8457 ± 0.0012 Å
• b: 10.6227 ± 0.0008 Å
• c: 10.4817 ± 0.0006 Å
• α: 90°
• β: 101.268 ± 0.004°
• γ: 90°
• Cell volume: 1839.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes