Information card for entry 2208924

Structure parameters

• Chemical name: 1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
• Formula: C15 H9 Br Cl2 O
• Calculated formula: C15 H9 Br Cl2 O
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1ccc(Cl)cc1Cl
• Title of publication: 1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: P. S. Patil; Jeannie Bee-Jan Teh; 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: 5
• Pages of publication: o1710 - o1712
• a: 11.4642 ± 0.0004 Å
• b: 30.0972 ± 0.001 Å
• c: 3.902 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.35 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes