Information card for entry 2219836

Structure parameters

• Chemical name: 2,6-Dichlorobenzaldehyde oxime
• Formula: C7 H5 Cl2 N O
• Calculated formula: C7 H5 Cl2 N O
• SMILES: Clc1c(c(Cl)ccc1)/C=N/O
• Title of publication: 2,6-Dichlorobenzaldehyde oxime
• Authors of publication: Bao, Feng-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2134
• a: 3.8074 ± 0.0001 Å
• b: 14.3712 ± 0.0002 Å
• c: 14.3835 ± 0.0003 Å
• α: 89.108 ± 0.001°
• β: 88.545 ± 0.001°
• γ: 85.296 ± 0.001°
• Cell volume: 784.04 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes