Information card for entry 2100711

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: 9.5728 ± 0.0015 Å
• b: 4.9342 ± 0.0003 Å
• c: 11.7537 ± 0.0015 Å
• α: 90°
• β: 110.064 ± 0.01°
• γ: 90°
• Cell volume: 521.48 ± 0.11 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: 0.0634
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9074
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes