Information card for entry 2208856

Structure parameters

• Chemical name: (E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime
• Formula: C9 H10 Br N O3
• Calculated formula: C9 H10 Br N O3
• SMILES: O/N=C/c1cc(OC)c(cc1Br)OC
• Title of publication: (<i>E</i>)-2-Bromo-4,5-dimethoxybenzaldehyde oxime
• Authors of publication: Xiang Li; Da-Min Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1946 - o1947
• a: 8.087 ± 0.0014 Å
• b: 9.6175 ± 0.0017 Å
• c: 26.795 ± 0.005 Å
• α: 90°
• β: 94.964 ± 0.003°
• γ: 90°
• Cell volume: 2076.2 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes