Information card for entry 2218451

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Formula: C15 H9 Cl3 O
• Calculated formula: C15 H9 Cl3 O
• SMILES: Clc1ccc(c(Cl)c1)C(=O)/C=C/c1ccccc1Cl
• Title of publication: (<i>E</i>)-3-(2-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1086
• a: 50.177 ± 0.002 Å
• b: 3.8082 ± 0.0002 Å
• c: 13.7297 ± 0.0007 Å
• α: 90°
• β: 95.307 ± 0.003°
• γ: 90°
• Cell volume: 2612.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes