Information card for entry 2241192

Structure parameters

• Chemical name: 2-[4(<i>E</i>)-2,6-Bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide
• Formula: C21 H22 Cl2 N2 O
• Calculated formula: C21 H22 Cl2 N2 O
• SMILES: Clc1ccc(cc1)[C@H]1N[C@H]([C@@H](/C(=C/C(=O)N)C1)CC)c1ccc(Cl)cc1.Clc1ccc(cc1)[C@@H]1N[C@@H]([C@H](/C(=C/C(=O)N)C1)CC)c1ccc(Cl)cc1
• Title of publication: Crystal structure of 2-[4(<i>E</i>)-2,6-bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide
• Authors of publication: Priya, K.; Saravanan, K.; Selvanayagam, S.; Kabilan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o832 - o833
• a: 8.3293 ± 0.0002 Å
• b: 12.2924 ± 0.0003 Å
• c: 19.3226 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1978.38 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes