Information card for entry 2219178

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
• Formula: C15 H10 Br Cl O
• Calculated formula: C15 H10 Br Cl O
• SMILES: Brc1ccc(cc1)C(=O)/C=C/c1c(Cl)cccc1
• Title of publication: (<i>E</i>)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Dharmaprakash, S. M.; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1464
• a: 27.872 ± 0.0006 Å
• b: 3.9235 ± 0.0001 Å
• c: 11.6408 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1272.99 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes