Information card for entry 2239126

Structure parameters

• Chemical name: (1<i>Z</i>)-1-(1-Benzofuran-2-yl)ethanone oxime
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: O/N=C(\c1cc2c(o1)cccc2)C
• Title of publication: (1<i>Z</i>)-1-(1-Benzofuran-2-yl)ethanone oxime
• Authors of publication: Arunakumar, D. B.; Nivedita, R. Desai; Sreenivasa, S.; Madan Kumar, S.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o40
• a: 9.5727 ± 0.0012 Å
• b: 4.7303 ± 0.0008 Å
• c: 18.756 ± 0.002 Å
• α: 90°
• β: 96.178 ± 0.006°
• γ: 90°
• Cell volume: 844.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0652
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes