Information card for entry 2239169

Structure parameters

• Chemical name: 1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(2,6-difluorobenzyl)oxime
• Formula: C17 H13 F2 N O2
• Calculated formula: C17 H13 F2 N O2
• SMILES: CC(=N\OCc1c(F)cccc1F)/c1cc2c(o1)cccc2
• Title of publication: 1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(2,6-difluorobenzyl)oxime
• Authors of publication: Kosmalski, Tomasz; Gzella, Andrzej K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o91
• a: 7.36652 ± 0.00017 Å
• b: 17.0314 ± 0.0004 Å
• c: 11.2047 ± 0.0002 Å
• α: 90°
• β: 90.02 ± 0.002°
• γ: 90°
• Cell volume: 1405.77 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes