Information card for entry 2206569

Structure parameters

• Chemical name: (4,6-Dichloro-[1,3,5]triazin-2-yl)-phenyl-amine
• Formula: C9 H6 Cl2 N4
• Calculated formula: C9 H6 Cl2 N4
• SMILES: Clc1nc(nc(Cl)n1)Nc1ccccc1
• Title of publication: <i>N</i>-(4,6-Dichloro-1,3,5-triazin-2-yl)aniline
• Authors of publication: Tao Zeng; Chuan-Ming Dong; Xue-Gui Shu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2334 - o2335
• a: 14.114 ± 0.003 Å
• b: 5.5098 ± 0.001 Å
• c: 25.621 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1992.4 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes