Information card for entry 2208627

Structure parameters

• Chemical name: 4-Bromobenzaldehyde O-(2-ethoxybenzyl)oxime
• Formula: C16 H16 Br N O2
• Calculated formula: C16 H16 Br N O2
• SMILES: Brc1ccc(C=NOCc2c(OCC)cccc2)cc1
• Title of publication: 4-Bromobenzaldehyde <i>O</i>-(2-ethoxybenzyl)oxime
• Authors of publication: Er-Bing Yang; Lei Wang; Zheng-Ming Li; Hai-Bin Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1657 - o1658
• a: 7.626 ± 0.003 Å
• b: 7.833 ± 0.003 Å
• c: 13.934 ± 0.006 Å
• α: 91.501 ± 0.007°
• β: 92.925 ± 0.007°
• γ: 115.968 ± 0.006°
• Cell volume: 746.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No