Information card for entry 2214772

Structure parameters

• Common name: 2-chloro-acetylbenzofuran
• Chemical name: 1-(1-Benzofuran-2-yl)-2-chloroethanone
• Formula: C10 H7 Cl O2
• Calculated formula: C10 H7 Cl O2
• SMILES: c1(oc2c(c1)cccc2)C(=O)CCl
• Title of publication: 1-(1-Benzofuran-2-yl)-2-chloroethanone
• Authors of publication: Anna Kozakiewicz; Andrzej Prewysz-Kwinto; Andrzej Wojtczak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3469 - o3469
• a: 9.55 ± 0.002 Å
• b: 10.303 ± 0.002 Å
• c: 17.695 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1741.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1595
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes