Information card for entry 2218473

Structure parameters

• Chemical name: (<i>E</i>)-3-(2-Chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
• Formula: C15 H10 Cl2 O
• Calculated formula: C15 H10 Cl2 O
• SMILES: Clc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1
• Title of publication: (<i>E</i>)-3-(2-Chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Patil, P. S.; Dharmaprakash, S. M.; Deepak D'Silva, E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1177
• a: 7.2777 ± 0.0001 Å
• b: 11.2686 ± 0.0002 Å
• c: 30.2365 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2479.68 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes