Information card for entry 7208259

Structure parameters

• Common name: 4-methoxy-2-hydroxobenzoic acid
• Chemical name: 4-methoxy-2-hydroxobenzoic acid
• Formula: C8 H8 O4
• Calculated formula: C8 H8 O4
• SMILES: c1(c(cc(cc1)OC)O)C(=O)O
• Title of publication: Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids
• Authors of publication: Montis, Riccardo; Hursthouse, Michael B.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5242
• a: 4.9629 ± 0.0002 Å
• b: 11.0915 ± 0.0008 Å
• c: 13.6559 ± 0.0009 Å
• α: 90°
• β: 98.788 ± 0.004°
• γ: 90°
• Cell volume: 742.88 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No