Information card for entry 2244199

Structure parameters

• Chemical name: 2-Chloro-1-(3-hydroxyphenyl)ethanone
• Formula: C8 H7 Cl O2
• Calculated formula: C8 H7 Cl O2
• SMILES: Oc1cc(ccc1)C(=O)CCl
• Title of publication: Synthesis and crystal structure of 2-chloro-1-(3-hydroxyphenyl)ethanone
• Authors of publication: Priyanka, Prabhakar; Jayanna, Bidarur K.; Vinaya; Shankara Prasad, Holehundi J.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 11
• a: 4.9172 ± 0.0002 Å
• b: 12.7016 ± 0.0004 Å
• c: 11.8573 ± 0.0003 Å
• α: 90°
• β: 96.294 ± 0.001°
• γ: 90°
• Cell volume: 736.1 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes