Information card for entry 2015078

Structure parameters

• Chemical name: 2-Benzoylbenzofuran
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: o1c2ccccc2cc1C(=O)c1ccccc1
• Title of publication: C—H···O, C—H···π and π‒π interactions in three benzofuran-2-yl ketone derivatives
• Authors of publication: Yilmaz, Veysel T.; Kazak, Canan; Kirilmis, Cumhur; Koca, Murat; Heinemann, Frank W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o438 - o441
• a: 6.1028 ± 0.0005 Å
• b: 8.801 ± 0.0004 Å
• c: 10.1195 ± 0.0006 Å
• α: 97.7 ± 0.004°
• β: 93.71 ± 0.006°
• γ: 101.073 ± 0.006°
• Cell volume: 526.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes