Information card for entry 2218810

Structure parameters

• Chemical name: 2,4-Dichloro-6-(3-methylpiperidin-1-yl)-1,3,5-triazine
• Formula: C9 H12 Cl2 N4
• Calculated formula: C9 H12 Cl2 N4
• SMILES: Clc1nc(Cl)nc(n1)N1CCCC(C1)C
• Title of publication: 2,4-Dichloro-6-(3-methylpiperidin-1-yl)-1,3,5-triazine
• Authors of publication: Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1325
• a: 8.086 ± 0.016 Å
• b: 19.19 ± 0.03 Å
• c: 7.813 ± 0.015 Å
• α: 90°
• β: 106.18 ± 0.03°
• γ: 90°
• Cell volume: 1164 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No