Information card for entry 2224923

Structure parameters

• Chemical name: 1-(1-Benzofuran-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
• Formula: C17 H11 Cl O2
• Calculated formula: C17 H11 Cl O2
• SMILES: c1c2ccccc2oc1C(=O)/C=C/c1ccc(cc1)Cl
• Title of publication: 1-(1-Benzofuran-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Jeyaseelan, S.; Devarajegowda, H. C.; Venkatarama, G.; Vinduvahini, M.; D'souza, Alphonsus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o466
• a: 15.9034 ± 0.0012 Å
• b: 14.1393 ± 0.0012 Å
• c: 5.9572 ± 0.0005 Å
• α: 90°
• β: 93.039 ± 0.004°
• γ: 90°
• Cell volume: 1337.67 ± 0.19 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: 0.0517
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes