Information card for entry 2229100

Structure parameters

• Chemical name: 2-Chloro-4,6-bis(piperidin-1-yl)-1,3,5-triazine
• Formula: C13 H20 Cl N5
• Calculated formula: C13 H20 Cl N5
• SMILES: Clc1nc(nc(n1)N1CCCCC1)N1CCCCC1
• Title of publication: 2-Chloro-4,6-bis(piperidin-1-yl)-1,3,5-triazine
• Authors of publication: Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o312
• a: 10.5085 ± 0.0002 Å
• b: 11.7016 ± 0.0003 Å
• c: 12.6086 ± 0.0003 Å
• α: 89.813 ± 0.001°
• β: 67.967 ± 0.002°
• γ: 81.627 ± 0.001°
• Cell volume: 1419.65 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes