Information card for entry 2218890

Structure parameters

• Common name: (<i>E</i>)-3-(2-Chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H13 Cl O2
• Calculated formula: C16 H13 Cl O2
• SMILES: Clc1ccccc1/C=C/C(=O)c1cccc(OC)c1
• Title of publication: (<i>E</i>)-3-(2-Chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1525
• a: 7.7352 ± 0.0002 Å
• b: 8.1405 ± 0.0002 Å
• c: 10.7411 ± 0.0002 Å
• α: 87.392 ± 0.001°
• β: 82.147 ± 0.001°
• γ: 74.794 ± 0.001°
• Cell volume: 646.52 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes