Information card for entry 2236216

Structure parameters

• Chemical name: 1-Benzylpiperidin-4-one <i>O</i>-(2-bromobenzyl)oxime
• Formula: C19 H21 Br N2 O
• Calculated formula: C19 H21 Br N2 O
• SMILES: Brc1c(CO/N=C2\CCN(CC2)Cc2ccccc2)cccc1
• Title of publication: 1-Benzylpiperidin-4-one <i>O</i>-(2-bromobenzyl)oxime
• Authors of publication: Moreno-Fuquen, Rodolfo; Loaiza, Alix E.; Diaz-Velandia, John; Kennedy, Alan R.; Morrison, Catriona A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3039
• a: 21.1586 ± 0.0005 Å
• b: 5.6731 ± 0.0002 Å
• c: 14.6425 ± 0.0004 Å
• α: 90°
• β: 103.037 ± 0.003°
• γ: 90°
• Cell volume: 1712.31 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes