Information card for entry 2235983

Structure parameters

• Chemical name: 2-Chloro-1-(4-hydroxyphenyl)ethanone
• Formula: C8 H7 Cl O2
• Calculated formula: C8 H7 Cl O2
• SMILES: ClCC(=O)c1ccc(O)cc1
• Title of publication: 2-Chloro-1-(4-hydroxyphenyl)ethanone
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2424
• a: 7.4931 ± 0.0005 Å
• b: 14.7345 ± 0.001 Å
• c: 13.5681 ± 0.001 Å
• α: 90°
• β: 95.56 ± 0.001°
• γ: 90°
• Cell volume: 1490.97 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes