Information card for entry 2215665

Structure parameters

• Chemical name: 4,6-Dimorpholino-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
• Formula: C19 H34 N6 O2
• Calculated formula: C19 H34 N6 O2
• SMILES: O1CCN(c2nc(nc(n2)NC(C)(C)CC(C)(C)C)N2CCOCC2)CC1
• Title of publication: 4,6-Dimorpholino-<i>N</i>-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
• Authors of publication: Dong, Jun-Ying; Huang, Peng-Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4028 - o4028
• a: 10.247 ± 0.002 Å
• b: 16.718 ± 0.003 Å
• c: 12.107 ± 0.002 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 2066.7 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes