Information card for entry 2100707

Structure parameters

• Common name: salicylaldoxime
• Chemical name: 2-hydroxybenzaldehyde oxime
• Formula: C7 H7 N O2
• Calculated formula: C7 H7 N O2
• SMILES: ON=Cc1c(O)cccc1
• Title of publication: Effect of pressure on the crystal structure of salicylaldoxime-I, and the structure of salicylaldoxime-II at 5.93GPa
• Authors of publication: P. A. Wood; R. S. Forgan; D. Henderson; S. Parsons; E. Pidcock; P. A. Tasker; J. E. Warren
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1099 - 1111
• a: 10.346 ± 0.004 Å
• b: 5.0294 ± 0.0017 Å
• c: 13.478 ± 0.005 Å
• α: 90°
• β: 112.21 ± 0.02°
• γ: 90°
• Cell volume: 649.3 ± 0.4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Ambient diffracton pressure: 5930000 kPa
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1745
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes