Information card for entry 2214222

Structure parameters

• Chemical name: 6-Chloro-N^2^-propyl-N^4^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine- 2,4-diamine
• Formula: C14 H26 Cl N5
• Calculated formula: C14 H26 Cl N5
• SMILES: CCCNc1nc(nc(n1)Cl)NC(CC(C)(C)C)(C)C
• Title of publication: 6-Chloro-<i>N</i>^2^-propyl-<i>N</i>^4^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
• Authors of publication: Yi-Ping Jiang; Ting Qiu; Liang-En Wang; Jia-Ning Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3096 - o3096
• a: 19.354 ± 0.004 Å
• b: 8.1265 ± 0.0016 Å
• c: 22.312 ± 0.004 Å
• α: 90°
• β: 98.211 ± 0.004°
• γ: 90°
• Cell volume: 3473.3 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes