Information card for entry 2210123

Structure parameters

• Common name: salicylaldoxime
• Chemical name: 2-hydroxybenzaldehyde oxime
• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• SMILES: O/N=C/c1c(O)cccc1
• Title of publication: Salicylaldoxime-III at 150 K
• Authors of publication: Peter A. Wood; Ross S. Forgan; Simon Parsons; Elna Pidcock; Peter A. Tasker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3944 - o3946
• a: 7.6691 ± 0.0002 Å
• b: 12.7162 ± 0.0003 Å
• c: 13.3652 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.4 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9431
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes