Information card for entry 2014053

Structure parameters

• Chemical name: (E)-1-(2-Hydroxyphenyl)propan-2-one O-methyloxime
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• SMILES: Oc1c(cccc1)CC(=N\OC)\C
• Title of publication: (<i>E</i>)-1-(2-Hydroxyphenyl)propan-2-one <i>O</i>-methyloxime forms hydrogen-bonded chains of edge-fused <i>R</i>f̱{_4^4}(16) and <i>R</i>f̱{_4^4}(24) rings
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o245 - o247
• a: 9.3723 ± 0.0002 Å
• b: 9.4254 ± 0.0002 Å
• c: 12.308 ± 0.0003 Å
• α: 89.7146 ± 0.0012°
• β: 68.5508 ± 0.0011°
• γ: 77.0903 ± 0.001°
• Cell volume: 982.85 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes