Information card for entry 2216212

Structure parameters

• Chemical name: 6-Chloro-N^2^,N^4^-di-p-tolyl-1,3,5-triazine-2,4-diamine acetone solvate
• Formula: C20 H22 Cl N5 O
• Calculated formula: C20 H22 Cl N5 O
• SMILES: Clc1nc(Nc2ccc(C)cc2)nc(n1)Nc1ccc(cc1)C.CC(=O)C
• Title of publication: 6-Chloro-<i>N</i>^2^,<i>N</i>^4^-di-<i>p</i>-tolyl-1,3,5-triazine-2,4-diamine acetone solvate
• Authors of publication: Fang-Fang Jian; Yong-Xiang Wei; Li-Hua Huang; Xiao-Yan Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4937 - o4937
• a: 7.861 ± 0.0016 Å
• b: 22.579 ± 0.005 Å
• c: 12.012 ± 0.002 Å
• α: 90°
• β: 104.22 ± 0.03°
• γ: 90°
• Cell volume: 2066.7 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1724
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.3292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes