Information card for entry 2231142

Structure parameters

• Chemical name: 2-(<i>m</i>-Tolyloxy)benzoic acid
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: O(c1cc(C)ccc1)c1ccccc1C(=O)O
• Title of publication: 2-(<i>m</i>-Tolyloxy)benzoic acid
• Authors of publication: Zhang, Zhi-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1935
• a: 5.193 ± 0.001 Å
• b: 7.8 ± 0.0016 Å
• c: 14.868 ± 0.003 Å
• α: 94.28 ± 0.03°
• β: 97.5 ± 0.03°
• γ: 102.54 ± 0.03°
• Cell volume: 579.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes