Information card for entry 7203138

Structure parameters

• Common name: (N-Pyridin-4-ylmethylene)(N'-pyridin-2-ylmethylene) cyclohexane-1,2-diamine
• Formula: C18 H20 N4
• Calculated formula: C18 H20 N4
• SMILES: c1cccnc1/C=N/[C@H]1CCCC[C@@H]1/N=C/c1ccncc1.c1cccnc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1ccncc1
• Title of publication: Benign approaches for the synthesis of bis-imine Schiff bases
• Authors of publication: van den Ancker, Tania R.; Cave, Gareth W. V.; Raston, Colin L.
• Journal of publication: Green Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 50
• a: 35.5824 ± 0.0014 Å
• b: 5.701 ± 0.0003 Å
• c: 16.8318 ± 0.0009 Å
• α: 90°
• β: 112.752 ± 0.002°
• γ: 90°
• Cell volume: 3148.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No