Information card for entry 2229580

Structure parameters

• Chemical name: 2-(2-Chlorophenoxy)benzoic acid
• Formula: C13 H9 Cl O3
• Calculated formula: C13 H9 Cl O3
• SMILES: Clc1ccccc1Oc1c(cccc1)C(=O)O
• Title of publication: 2-(2-Chlorophenoxy)benzoic acid
• Authors of publication: Shi, Lu; Zhang, Qin; Xiao, Qi; Wu, Tao; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o748
• a: 6.993 ± 0.0014 Å
• b: 24.986 ± 0.005 Å
• c: 7.514 ± 0.0015 Å
• α: 90°
• β: 115.79 ± 0.03°
• γ: 90°
• Cell volume: 1182.1 ± 0.5 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: 0.1273
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes