Information card for entry 2009922

Structure parameters

• Common name: 2'-hydroxypropiophenone oxime
• Chemical name: 1-(2'-hydroxyphenyl)-1-iminohydroxypropane
• Formula: C9 H11 N O2
• Calculated formula: C9 H11 N O2
• SMILES: c1(c(cccc1)O)/C(=N/O)CC
• Title of publication: 2'-Hydroxypropiophenone oxime
• Authors of publication: Maurin, Jan K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1357 - 1359
• a: 9.274 ± 0.002 Å
• b: 14.753 ± 0.002 Å
• c: 13.29 ± 0.002 Å
• α: 90°
• β: 108.4 ± 0.02°
• γ: 90°
• Cell volume: 1725.4 ± 0.5 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 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: 0.0981
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0984
• Goodness-of-fit parameter for all reflections: 0.91
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No