Information card for entry 2242279

Structure parameters

• Common name: (<i>E</i>)-furan-2-carbaldehyde <i>O</i>-benzoyloxime
• Chemical name: (<i>E</i>)-(Furan-2-ylmethylidene)amino benzoate
• Formula: C12 H9 N O3
• Calculated formula: C12 H9 N O3
• SMILES: o1c(ccc1)/C=N/OC(=O)c1ccccc1
• Title of publication: Crystal structure of (<i>E</i>)-furan-2-carbaldehyde <i>O</i>-benzoyloxime
• Authors of publication: Hijji, Yousef M.; Rajan, Rajeesha; Mansour, Said; Ben Yahia, Hamdi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1326 - 1328
• a: 6.3414 ± 0.0003 Å
• b: 9.1268 ± 0.0005 Å
• c: 18.1423 ± 0.0009 Å
• α: 90°
• β: 95.634 ± 0.002°
• γ: 90°
• Cell volume: 1044.94 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes