Information card for entry 7203669

Structure parameters

• Formula: C18 H20 N4
• Calculated formula: C18 H20 N4
• SMILES: c1(ccncc1)/C=N/C1CCC(CC1)/N=C/c1ccncc1
• 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: 11.7026 ± 0.0013 Å
• b: 5.5972 ± 0.0006 Å
• c: 12.3769 ± 0.0014 Å
• α: 90°
• β: 94.702 ± 0.003°
• γ: 90°
• Cell volume: 807.98 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No