Information card for entry 2224651

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenyl)acetic acid
• Formula: C8 H6 Cl2 O2
• Calculated formula: C8 H6 Cl2 O2
• SMILES: Clc1ccc(c(Cl)c1)CC(=O)O
• Title of publication: 2-(2,4-Dichlorophenyl)acetic acid
• Authors of publication: Li, Jiang-Sheng; He, Qi-Xi; Li, Peng-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o110
• a: 10.824 ± 0.002 Å
• b: 5.6061 ± 0.0011 Å
• c: 13.82 ± 0.003 Å
• α: 90°
• β: 91.08 ± 0.03°
• γ: 90°
• Cell volume: 838.5 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes