Information card for entry 2205624

Structure parameters

• Chemical name: 2,4-Dichloro-6-morpholino-1,3,5-triazine
• Formula: C7 H8 Cl2 N4 O
• Calculated formula: C7 H8 Cl2 N4 O
• SMILES: Clc1nc(nc(n1)Cl)N1CCOCC1
• Title of publication: 2,4-Dichloro-6-morpholino-1,3,5-triazine
• Authors of publication: Dong, Chuan-Ming; Chen, Li-Gong; Duan, Xue-Min; Shu, Xue-Gui; Zeng, Tao; Yan, Xi-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1168 - o1169
• a: 9.6003 ± 0.0011 Å
• b: 13.0545 ± 0.0015 Å
• c: 7.6874 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 963.44 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes