Information card for entry 2213167

Structure parameters

• Chemical name: 2-Bromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylprop-2-en-1-one
• Formula: C15 H8 Br Cl2 F O
• Calculated formula: C15 H8 Br Cl2 F O
• SMILES: c1c(/C=C(\Br)C(=O)c2c(Cl)cc(Cl)c(F)c2)cccc1
• Title of publication: 2-Bromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylprop-2-en-1-one
• Authors of publication: V. Dhanasekaran; D. Gayathri; D. Velmurugan; K. Ravikumar; M. S. Karthikeyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2309 - o2310
• a: 6.5423 ± 0.0008 Å
• b: 14.3317 ± 0.0016 Å
• c: 7.804 ± 0.0009 Å
• α: 90°
• β: 93.284 ± 0.002°
• γ: 90°
• Cell volume: 730.52 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes