Information card for entry 2213701

Structure parameters

• Chemical name: 6-chloro-2-diethylamino-4-[(1,1,3,3-tetramethylbutyl)amino] -1,3,5-triazine
• Formula: C15 H28 Cl N5
• Calculated formula: C15 H28 Cl N5
• SMILES: Clc1nc(nc(n1)NC(CC(C)(C)C)(C)C)N(CC)CC
• Title of publication: 6-Chloro-2-diethylamino-4-[(1,1,3,3-tetramethylbutyl)amino]-1,3,5-triazine
• Authors of publication: Jin-peng Wang; Fei Wen; Qing-ming Zang; Shuai Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3017 - o3017
• a: 19.239 ± 0.003 Å
• b: 7.9613 ± 0.0012 Å
• c: 24.105 ± 0.004 Å
• α: 90°
• β: 102.684 ± 0.005°
• γ: 90°
• Cell volume: 3602 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes