Information card for entry 2214452

Structure parameters

• Chemical name: 4-Chloro-6-morpholino-N^2^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
• Formula: C15 H26 Cl N5 O
• Calculated formula: C15 H26 Cl N5 O
• SMILES: Clc1nc(nc(n1)NC(C)(C)CC(C)(C)C)N1CCOCC1
• Title of publication: 4-Chloro-6-morpholino-<i>N</i>^2^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
• Authors of publication: Yi-Ping Jiang; Ting Qiu; Liang-En Wang; Jia-Ning Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3173 - o3173
• a: 14.119 ± 0.003 Å
• b: 7.4964 ± 0.0017 Å
• c: 17.083 ± 0.004 Å
• α: 90°
• β: 101.939 ± 0.004°
• γ: 90°
• Cell volume: 1769 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes