Information card for entry 2216734

Structure parameters

• Common name: piperidine derivative
• Chemical name: 2-[2,6-Bis(2-chlorophenyl)piperidin-4-ylidene]malononitrile
• Formula: C20 H15 Cl2 N3
• Calculated formula: C20 H15 Cl2 N3
• SMILES: Clc1c([C@H]2N[C@H](CC(=C(C#N)C#N)C2)c2c(Cl)cccc2)cccc1
• Title of publication: 2-[2,6-Bis(2-chlorophenyl)piperidin-4-ylidene]malononitrile
• Authors of publication: S. Balamurugan; A. Thiruvalluvar; R. J. Butcher; A. Manimekalai; J. Jayabharathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4853 - o4853
• a: 15.1732 ± 0.001 Å
• b: 7.5493 ± 0.0005 Å
• c: 16.3452 ± 0.0012 Å
• α: 90°
• β: 105.494 ± 0.007°
• γ: 90°
• Cell volume: 1804.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.1672
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes