Information card for entry 1542978

Structure parameters

• Chemical name: <i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide
• Formula: C18 H21 N3 O2
• Calculated formula: C18 H21 N3 O2
• SMILES: Oc1cc(/N=C/c2cccnc2NC(=O)C(C)(C)C)ccc1C
• Title of publication: <i>N</i>-(3-{[(<i>Z</i>)-(3-Hydroxy-4-methylphenyl)imino]methyl}pyridin-2-yl)pivalamide
• Authors of publication: Atalay, Şehriman; Gerçeker, Semra; Eserci, Hande; Ağar, Erbil
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160464
• a: 5.8594 ± 0.0003 Å
• b: 18.8756 ± 0.0008 Å
• c: 16.0649 ± 0.0009 Å
• α: 90°
• β: 108.13 ± 0.004°
• γ: 90°
• Cell volume: 1688.56 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.111
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes