Information card for entry 2235006

Structure parameters

• Chemical name: 2-(2-Chlorophenyl)acetic acid
• Formula: C8 H7 Cl O2
• Calculated formula: C8 H7 Cl O2
• SMILES: Clc1c(cccc1)CC(=O)O
• Title of publication: 2-(2-Chlorophenyl)acetic acid
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1940
• a: 9.1473 ± 0.0007 Å
• b: 5.8265 ± 0.0003 Å
• c: 15.4299 ± 0.0007 Å
• α: 90°
• β: 101.155 ± 0.005°
• γ: 90°
• Cell volume: 806.83 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes