Information card for entry 2220842

Structure parameters

• Common name: N,N bis(2-pyridylmethyltert-butylamine
• Chemical name: <i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)-<i>tert</i>-butylamine
• Formula: C16 H21 N3
• Calculated formula: C16 H21 N3
• SMILES: CC(C)(C)N(Cc1ncccc1)Cc1ncccc1
• Title of publication: <i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)-<i>tert</i>-butylamine
• Authors of publication: Mambanda, Allen; Jaganyi, Deogratius; Stewart, Kirsty
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o402
• a: 6.1808 ± 0.0003 Å
• b: 17.9502 ± 0.0008 Å
• c: 13.7079 ± 0.0006 Å
• α: 90°
• β: 100.239 ± 0.004°
• γ: 90°
• Cell volume: 1496.63 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes