Information card for entry 2235536

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine
• Formula: C18 H23 N3
• Calculated formula: C18 H23 N3
• SMILES: C(c1ccccn1)N(Cc1ccccn1)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>-Bis(pyridin-2-ylmethyl)cyclohexanamine
• Authors of publication: Akerman, Matthew P.; Chipangura, Mathias; Mambanda, Allen; Jaganyi, Deogratius
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2194 - o2195
• a: 6.2272 ± 0.0002 Å
• b: 18.1729 ± 0.0007 Å
• c: 14.3213 ± 0.0005 Å
• α: 90°
• β: 102.118 ± 0.004°
• γ: 90°
• Cell volume: 1584.58 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes