Information card for entry 2206523

Structure parameters

• Chemical name: N-(4-Chloro-6-morpholino-1,3,5-triazin-2-yl)aniline
• Formula: C13 H14 Cl N5 O
• Calculated formula: C13 H14 Cl N5 O
• SMILES: Clc1nc(N2CCOCC2)nc(n1)Nc1ccccc1
• Title of publication: <i>N</i>-(4-Chloro-6-morpholino-1,3,5-triazin-2-yl)aniline
• Authors of publication: Li, Yang; Ding, Li; Zeng, Tao; Li, Jiang-Sheng; Dong, Chuan-Ming; Yan, Xi-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2345 - o2346
• a: 8.3481 ± 0.0015 Å
• b: 17.667 ± 0.003 Å
• c: 9.9401 ± 0.0018 Å
• α: 90°
• β: 108.86 ± 0.003°
• γ: 90°
• Cell volume: 1387.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes