Information card for entry 2229152

Structure parameters

• Chemical name: 1-[4-(4-Chlorobutoxy)-2-hydroxyphenyl]ethanone
• Formula: C12 H15 Cl O3
• Calculated formula: C12 H15 Cl O3
• SMILES: ClCCCCOc1cc(O)c(C(=O)C)cc1
• Title of publication: 1-[4-(4-Chlorobutoxy)-2-hydroxyphenyl]ethanone
• Authors of publication: Wang, Li; Zhan, Jun-Peng; Liang, Jian-Qiang; Li, Zhe-Fei; Wei, Ge-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o462
• a: 5.275 ± 0.0004 Å
• b: 9.8941 ± 0.001 Å
• c: 11.6529 ± 0.0012 Å
• α: 99.735 ± 0.002°
• β: 98.242 ± 0.001°
• γ: 92.248 ± 0.001°
• Cell volume: 591.98 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes