Information card for entry 2241084

Structure parameters

• Chemical name: (<i>E</i>)-1-(3-Chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
• Formula: C13 H9 Cl O2
• Calculated formula: C13 H9 Cl O2
• SMILES: Clc1cc(C(=O)/C=C/c2cocc2)ccc1
• Title of publication: Crystal structure of (<i>E</i>)-1-(3-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
• Authors of publication: Zingales, Sarah K.; Wallace, Maya Z.; Padgett, Clifford W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o707
• a: 7.186 ± 0.008 Å
• b: 25.77 ± 0.03 Å
• c: 5.774 ± 0.006 Å
• α: 90°
• β: 94.734 ± 0.01°
• γ: 90°
• Cell volume: 1066 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes