Information card for entry 2230508

Structure parameters

• Common name: 2-(o-tolyloxy)benzoic acid
• Chemical name: 2-(<i>o</i>-Tolyloxy)benzoic acid
• Formula: C14 H12 O3
• Calculated formula: C14 H12 O3
• SMILES: O(c1c(C)cccc1)c1ccccc1C(=O)O
• Title of publication: 2-(<i>o</i>-Tolyloxy)benzoic acid
• Authors of publication: Xu, Jia-Ying; Cheng, Wei-Hua; Zhu, Xun; Gu, Dong-ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1394
• a: 7.09 ± 0.0014 Å
• b: 7.482 ± 0.0015 Å
• c: 12.68 ± 0.003 Å
• α: 95.34 ± 0.03°
• β: 96.36 ± 0.03°
• γ: 115.76 ± 0.03°
• Cell volume: 594.5 ± 0.3 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: 0.0831
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes