Information card for entry 2224280

Structure parameters

• Chemical name: 6-Chloro-<i>N</i>^2^,<i>N</i>^4^-di-<i>p</i>-tolyl-1,3,5-triazine-2,4-diamine dimethylformamide monosolvate
• Formula: C20 H23 Cl N6 O
• Calculated formula: C20 H23 Cl N6 O
• SMILES: Clc1nc(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)n1.O=CN(C)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 dimethylformamide monosolvate
• Authors of publication: Jian, Fangfang; Xiao, Hailian; Wei, Yongxiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3212
• a: 6.821 ± 0.002 Å
• b: 10.98 ± 0.002 Å
• c: 14.06 ± 0.003 Å
• α: 91.13 ± 0.03°
• β: 94.29 ± 0.02°
• γ: 98.32 ± 0.04°
• Cell volume: 1038.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No