Information card for entry 2211446

Structure parameters

• Chemical name: (Z)-benzyl 2-(hydroxyimino)acetoacetate
• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: O=C(C)/C(=N/O)C(=O)OCc1ccccc1
• Title of publication: (<i>Z</i>)-Benzyl 2-(hydroxyimino)acetoacetate
• Authors of publication: Forsyth, Craig M.; Langford, Steven J.; Lee, Katrina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5654 - o5655
• a: 10.464 ± 0.002 Å
• b: 11.191 ± 0.002 Å
• c: 9.1463 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1071.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes