Information card for entry 1543346

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine
• Formula: C17 H21 N3 O
• Calculated formula: C17 H21 N3 O
• SMILES: N(C1CCOCC1)(c1nccc(c1)C)c1nccc(c1)C
• Title of publication: 4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine
• Authors of publication: El-Gokha, Ahmed; Schollmeyer, Dieter; Koch, Pierre
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160804
• a: 14.5487 ± 0.0009 Å
• b: 10.1675 ± 0.0006 Å
• c: 10.4269 ± 0.0006 Å
• α: 90°
• β: 100.104 ± 0.0017°
• γ: 90°
• Cell volume: 1518.47 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes