Information card for entry 2231983

Structure parameters

• Chemical name: 2,3-Dibromo-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)propan-1-one
• Formula: C15 H11 Br2 Cl O2
• Calculated formula: C15 H11 Br2 Cl O2
• SMILES: Clc1ccc(cc1)[C@H](Br)[C@H](Br)C(=O)c1ccccc1O.Clc1ccc(cc1)[C@@H](Br)[C@@H](Br)C(=O)c1ccccc1O
• Title of publication: 2,3-Dibromo-3-(4-chlorophenyl)-1-(2-hydroxyphenyl)propan-1-one
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Khaleel, V. Musthafa; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2651 - o2652
• a: 29.075 ± 0.003 Å
• b: 9.2358 ± 0.001 Å
• c: 11.4374 ± 0.0012 Å
• α: 90°
• β: 103.29 ± 0.002°
• γ: 90°
• Cell volume: 2989 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes