Information card for entry 2235383

Structure parameters

• Chemical name: (4<i>E</i>)-<i>N</i>-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6- diphenylpiperidin-4-imine
• Formula: C26 H27 Br N2 O
• Calculated formula: C26 H27 Br N2 O
• SMILES: Brc1ccccc1CO/N=C1\C[C@@H](N([C@@H]([C@H]1C)c1ccccc1)C)c1ccccc1.Brc1ccccc1CO/N=C1\C[C@H](N([C@H]([C@@H]1C)c1ccccc1)C)c1ccccc1
• Title of publication: (4<i>E</i>)-<i>N</i>-[(2-Bromophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
• Authors of publication: Ramalingan, Chennan; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2267
• a: 10.4425 ± 0.0006 Å
• b: 11.2544 ± 0.0006 Å
• c: 11.7035 ± 0.0006 Å
• α: 106.635 ± 0.005°
• β: 104.289 ± 0.005°
• γ: 113.558 ± 0.005°
• Cell volume: 1101.14 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes