Information card for entry 2004422

Structure parameters

• Formula: C8 H9 N O3
• Calculated formula: C8 H9 N O3
• SMILES: CCOC1=CC(=O)/C(=N/O)C=C1
• Title of publication: 5-Ethoxy-1,2-benzoquinone 2-Oxime
• Authors of publication: Carugo, O.; Charalambous, J.; Raghvani, D. V.; Sardone, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 153 - 155
• a: 3.979 ± 0.001 Å
• b: 10.8 ± 0.002 Å
• c: 18.713 ± 0.005 Å
• α: 90°
• β: 90.71 ± 0.03°
• γ: 90°
• Cell volume: 804.1 ± 0.3 ų
• Cell 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 significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 0.981
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No