Information card for entry 2311228

Structure parameters

• Chemical name: Methyl ({[(4<i>E</i>)-1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene]amino}oxy)acetate
• Formula: C22 H26 N2 O3
• Calculated formula: C22 H26 N2 O3
• SMILES: O(/N=C1\C[C@@H](N([C@@H]([C@H]1C)c1ccccc1)C)c1ccccc1)CC(=O)OC.O(/N=C1\C[C@H](N([C@H]([C@@H]1C)c1ccccc1)C)c1ccccc1)CC(=O)OC
• Title of publication: Methyl ({[(4E)-1,3-dimethyl-2,6-di-phenyl-piperidin-4-yl-idene]amino}-oxy)acetate.
• Authors of publication: Mohandas, T.; Pillai, M. Velayutham; Vidhyasagar, T.; Pasupathy, A.; Sakthivel, P.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 5
• Pages of publication: o513
• a: 8.1662 ± 0.0009 Å
• b: 15.0229 ± 0.0016 Å
• c: 16.2889 ± 0.0019 Å
• α: 90°
• β: 93.903 ± 0.006°
• γ: 90°
• Cell volume: 1993.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No