Information card for entry 2211041

Structure parameters

• Chemical name: 2,4-Dichloro-6-(piperidin-1-yl)-1,3,5-triazine
• Formula: C8 H10 Cl2 N4
• Calculated formula: C8 H10 Cl2 N4
• SMILES: Clc1nc(Cl)nc(n1)N1CCCCC1
• Title of publication: 2,4-Dichloro-6-(piperidin-1-yl)-1,3,5-triazine
• Authors of publication: Yi Deng; Xiao-Ji Wang; Fei Wen; Lei Wang; Yan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5207 - o5208
• a: 16.666 ± 0.004 Å
• b: 7.615 ± 0.002 Å
• c: 17.493 ± 0.005 Å
• α: 90°
• β: 107.951 ± 0.004°
• γ: 90°
• Cell volume: 2112 ± 1 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: 0.0787
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes