Information card for entry 2231423

Structure parameters

• Chemical name: (<i>E</i>)-2-Bromobenzaldehyde oxime
• Formula: C7 H6 Br N O
• Calculated formula: C7 H6 Br N O
• SMILES: Brc1ccccc1/C=N/O
• Title of publication: (<i>E</i>)-2-Bromobenzaldehyde oxime
• Authors of publication: Zonouzi, Afsaneh; Mirzazadeh, Roghieh; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2338
• a: 7.7403 ± 0.0002 Å
• b: 4.0012 ± 0.0001 Å
• c: 23.2672 ± 0.0005 Å
• α: 90°
• β: 98.81 ± 0.002°
• γ: 90°
• Cell volume: 712.09 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0217
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes