Information card for entry 2236136

Structure parameters

• Chemical name: 1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(4-chlorobenzyl)oxime
• Formula: C17 H14 Cl N O2
• Calculated formula: C17 H14 Cl N O2
• SMILES: o1c(cc2ccccc12)C(=N\OCc1ccc(cc1)Cl)\C
• Title of publication: 1-(1-Benzofuran-2-yl)ethanone <i>O</i>-(4-chlorobenzyl)oxime
• Authors of publication: Kosmalski, Tomasz; Gzella, Andrzej K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3178
• a: 5.8842 ± 0.0004 Å
• b: 7.1173 ± 0.0006 Å
• c: 17.2313 ± 0.0016 Å
• α: 93.802 ± 0.007°
• β: 97.998 ± 0.007°
• γ: 95.363 ± 0.007°
• Cell volume: 709.19 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes