Information card for entry 2210542

Structure parameters

• Chemical name: 3-(4-Bromophenyl)-1-(2,4-dichlorophenyl) prop-2-en-1-one
• Formula: C15 H9 Br Cl2 O
• Calculated formula: C15 H9 Br Cl2 O
• SMILES: Brc1ccc(/C=C/C(=O)c2c(Cl)cc(Cl)cc2)cc1
• Title of publication: 3-(4-Bromophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4380 - o4381
• a: 24.9039 ± 0.0003 Å
• b: 3.8474 ± 0.0001 Å
• c: 13.9069 ± 0.0002 Å
• α: 90°
• β: 94.923 ± 0.001°
• γ: 90°
• Cell volume: 1327.58 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes