Information card for entry 2217270

Structure parameters

• Chemical name: 4-Chloro-N-methyl-6-(morpholin-4-yl)-N-phenyl-1,3,5-triazin-2-amine
• Formula: C14 H16 Cl N5 O
• Calculated formula: C14 H16 Cl N5 O
• SMILES: Clc1nc(nc(n1)N1CCOCC1)N(C)c1ccccc1
• Title of publication: 4-Chloro-<i>N</i>-methyl-6-(morpholin-4-yl)-<i>N</i>-phenyl-1,3,5-triazin-2-amine
• Authors of publication: Tao Zeng; Wan-Zhong Ren; Lie-Gang Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o277 - o277
• a: 17.121 ± 0.003 Å
• b: 17.308 ± 0.003 Å
• c: 10.0243 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2970.5 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes