Information card for entry 7203667

Structure parameters

• Formula: C18 H20 N4
• Calculated formula: C18 H20 N4
• SMILES: C(=N\C1CCC(/N=C/c2ccccn2)CC1)/c1ccccn1
• Title of publication: The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4
• Authors of publication: Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 909 - 915
• a: 5.7952 ± 0.001 Å
• b: 8.3871 ± 0.0014 Å
• c: 8.7671 ± 0.0014 Å
• α: 72.308 ± 0.003°
• β: 76.989 ± 0.003°
• γ: 86.488 ± 0.004°
• Cell volume: 395.54 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No