Information card for entry 2224173

Structure parameters

• Chemical name: (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
• Formula: C15 H12 Br Cl O2
• Calculated formula: C15 H12 Br Cl O2
• SMILES: Brc1ccc(Cl)c(c1)C(=O)c1ccc(OCC)cc1
• Title of publication: (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
• Authors of publication: Shao, Hua; Zhao, Guilong; Liu, Wei; Wang, Yuli; Xu, Weiren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3071
• a: 9.5979 ± 0.0019 Å
• b: 12.951 ± 0.003 Å
• c: 22.457 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2791.5 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes