Information card for entry 2208038

Structure parameters

• Chemical name: (E)-2-Chlorobenzaldehyde oxime
• Formula: C7 H6 Cl N O
• Calculated formula: C7 H6 Cl N O
• SMILES: Clc1c(cccc1)/C=N/O
• Title of publication: (<i>E</i>)-2-Chlorobenzaldehyde oxime
• Authors of publication: Da-Tong Zhang; Fang-Gang Sun; Duan, Gui-Yun; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o715 - o716
• a: 3.9231 ± 0.0019 Å
• b: 14.16 ± 0.007 Å
• c: 12.895 ± 0.006 Å
• α: 90°
• β: 93.544 ± 0.007°
• γ: 90°
• Cell volume: 715 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes