Information card for entry 2100712

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: 9.513 ± 0.002 Å
• b: 4.9319 ± 0.0004 Å
• c: 11.63 ± 0.002 Å
• α: 90°
• β: 109.859 ± 0.014°
• γ: 90°
• Cell volume: 513.2 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9435
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes