Information card for entry 2209465

Structure parameters

• Chemical name: (E)-2,4-Dichlorobenzaldehyde oxime
• Formula: C7 H5 Cl2 N O
• Calculated formula: C7 H5 Cl2 N O
• SMILES: Clc1cc(Cl)ccc1/C=N/O
• Title of publication: (<i>E</i>)-2,4-Dichlorobenzaldehyde oxime
• Authors of publication: Cai-Xia Wu; Xiu-Qin Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2826 - o2827
• a: 3.8066 ± 0.0015 Å
• b: 14.275 ± 0.006 Å
• c: 14.53 ± 0.006 Å
• α: 90°
• β: 94.15 ± 0.005°
• γ: 90°
• Cell volume: 787.5 ± 0.6 ų
• Cell temperature: 298 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes