Information card for entry 2232910

Structure parameters

• Chemical name: 3-(2-Chlorophenyl)-4-hydroxyfuran-2(5<i>H</i>)-one
• Formula: C10 H7 Cl O3
• Calculated formula: C10 H7 Cl O3
• SMILES: c1(c(cccc1)Cl)C1=C(COC1=O)O
• Title of publication: 3-(2-Chlorophenyl)-4-hydroxyfuran-2(5<i>H</i>)-one
• Authors of publication: Xiao, Zhu-Ping; Yi, Li-Cheng; Li, Jia-Liang; Xiang, Kai-Shuang; Zhang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3428
• a: 9.9699 ± 0.0015 Å
• b: 11.8308 ± 0.0018 Å
• c: 8.1562 ± 0.0012 Å
• α: 90°
• β: 104.898 ± 0.002°
• γ: 90°
• Cell volume: 929.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0369
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes