Information card for entry 2229123

Structure parameters

• Chemical name: 1-[4-(2-Chloroethoxy)-2-hydroxyphenyl]ethanone
• Formula: C10 H11 Cl O3
• Calculated formula: C10 H11 Cl O3
• SMILES: ClCCOc1cc(O)c(C(=O)C)cc1
• Title of publication: 1-[4-(2-Chloroethoxy)-2-hydroxyphenyl]ethanone
• Authors of publication: Wang, Li; Jiao, Shuo; Shi, Peng; Wei, Ge-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o461
• a: 8.997 ± 0.0007 Å
• b: 5.3258 ± 0.0004 Å
• c: 20.6307 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 988.55 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes