Information card for entry 2235219

Structure parameters

• Chemical name: 5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane
• Formula: C16 H20 N4
• Calculated formula: C16 H20 N4
• SMILES: n1ccccc1C1(NCC(CN1)(C)C)c1ncccc1
• Title of publication: 5,5-Dimethyl-2,2-bis(pyridin-2-yl)-1,3-diazinane
• Authors of publication: Warad, Ismail; Alruwaili, Afaf; Al-Resayes, Saud I.; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1786
• a: 8.5535 ± 0.0007 Å
• b: 8.7124 ± 0.0008 Å
• c: 11.7241 ± 0.001 Å
• α: 109.824 ± 0.002°
• β: 96.444 ± 0.002°
• γ: 109.658 ± 0.002°
• Cell volume: 748.33 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes