Information card for entry 2241151

Structure parameters

• Chemical name: 1-(5-Bromobenzofuran-2-yl) ethanone oxime
• Formula: C10 H8 Br N O2
• Calculated formula: C10 H8 Br N O2
• SMILES: c1(cc2c(ccc(c2)Br)o1)C(=N\O)\C
• Title of publication: Crystal structure of 1-(5-bromobenzofuran-2-yl) ethanone oxime
• Authors of publication: Krishnaswamy, G.; Krishna Murthy, P.; Nivedita Desai, R.; Suchetan, P. A.; Aruna Kumar, D. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o773 - o774
• a: 5.9548 ± 0.0006 Å
• b: 9.4897 ± 0.001 Å
• c: 17.2906 ± 0.0019 Å
• α: 90°
• β: 96.943 ± 0.006°
• γ: 90°
• Cell volume: 969.91 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes