Information card for entry 2224598

Structure parameters

• Chemical name: 1-[4-(3-Chloropropoxy)-2-hydroxyphenyl]ethanone
• Formula: C11 H13 Cl O3
• Calculated formula: C11 H13 Cl O3
• SMILES: O(c1cc(O)c(C(=O)C)cc1)CCCCl
• Title of publication: 1-[4-(3-Chloropropoxy)-2-hydroxyphenyl]ethanone
• Authors of publication: Ma, Ya-Tuan; Wang, Jing-Jing; Liu, Xi-Wang; Yang, Sheng-Xiang; Gao, Jin-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o52
• a: 18.62 ± 0.002 Å
• b: 11.963 ± 0.011 Å
• c: 5.024 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1119.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes