Information card for entry 2219070

Structure parameters

• Common name: (2E)-3-(2-chlorophenyl)-1-(2-furyl) prop-2-en-1-one
• Chemical name: (E)-3-(2-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one
• Formula: C13 H9 Cl O2
• Calculated formula: C13 H9 Cl O2
• SMILES: Clc1ccccc1/C=C/C(=O)c1occc1
• Title of publication: (<i>E</i>)-3-(2-Chlorophenyl)-1-(2-furyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1467
• a: 19.6826 ± 0.0004 Å
• b: 3.8395 ± 0.0001 Å
• c: 14.0491 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1061.71 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes