Information card for entry 2206321

Structure parameters

• Chemical name: 2-Chloro-4,6-di-morpholino-1,3,5-triazine
• Formula: C11 H16 Cl N5 O2
• Calculated formula: C11 H16 Cl N5 O2
• SMILES: Clc1nc(nc(n1)N1CCOCC1)N1CCOCC1
• Title of publication: 2-Chloro-4,6-dimorpholino-1,3,5-triazine
• Authors of publication: Zeng, Tao; Dong, Chuan-Ming; Shu, Xue-Gui; Li, Jiang-Sheng; Huang, Peng-Mian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2211 - o2212
• a: 23.081 ± 0.004 Å
• b: 4.5554 ± 0.0008 Å
• c: 13.069 ± 0.002 Å
• α: 90°
• β: 108.741 ± 0.002°
• γ: 90°
• Cell volume: 1301.3 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes