Information card for entry 2213632

Structure parameters

• Chemical name: 2-Hydroxy-3-methoxybenzoic acid
• Formula: C8 H8 O4
• Calculated formula: C8 H8 O4
• SMILES: c1(c(c(ccc1)C(=O)O)O)OC
• Title of publication: 2-Hydroxy-3-methoxybenzoic acid
• Authors of publication: Zhi-Hui Liu; Yong-Cai Qiu; Ying-Hua Li; Rong-Hua Zeng; Hong Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2616 - o2617
• a: 3.8668 ± 0.0002 Å
• b: 27.909 ± 0.0011 Å
• c: 7.0885 ± 0.0003 Å
• α: 90°
• β: 94.319 ± 0.002°
• γ: 90°
• Cell volume: 762.81 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes