Information card for entry 2208755

Structure parameters

• Chemical name: 3-(4-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/c1ccc(Cl)cc1
• Title of publication: 3-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: P. S. Patil; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1463 - o1465
• a: 24.9624 ± 0.0007 Å
• b: 3.8201 ± 0.0001 Å
• c: 13.723 ± 0.0004 Å
• α: 90°
• β: 95.43 ± 0.001°
• γ: 90°
• Cell volume: 1302.74 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes