Information card for entry 2223979

Structure parameters

• Chemical name: 2-(2,4,6-Trichlorophenoxy)ethyl bromide
• Formula: C8 H6 Br Cl3 O
• Calculated formula: C8 H6 Br Cl3 O
• SMILES: BrCCOc1c(Cl)cc(Cl)cc1Cl
• Title of publication: 2-(2,4,6-Trichlorophenoxy)ethyl bromide
• Authors of publication: Yao, Jin-feng; Yang, Wen-ge; Zhao, Xiao-lei; Shen, Lei; Hu, Yong-hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2850
• a: 4.055 ± 0.0008 Å
• b: 8.627 ± 0.0017 Å
• c: 15.183 ± 0.003 Å
• α: 90.73 ± 0.03°
• β: 94.81 ± 0.03°
• γ: 90.42 ± 0.03°
• Cell volume: 529.21 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes