Information card for entry 2222240

Structure parameters

• Chemical name: (<i>E</i>)-3-(2,6-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Formula: C16 H12 Cl2 O2
• Calculated formula: C16 H12 Cl2 O2
• SMILES: Clc1cccc(Cl)c1/C=C/C(=O)c1ccc(cc1)OC
• Title of publication: (<i>E</i>)-3-(2,6-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Benmekhbi, Lotfi; Belhouas, Ratiba; Bouacida, Sofiane; Mosbah, Salima; Bencharif, Leila
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1472 - o1473
• a: 6.4793 ± 0.0002 Å
• b: 12.9807 ± 0.0005 Å
• c: 16.7819 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1411.46 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes