Information card for entry 2200756

Structure parameters

• Formula: C7 H6 O4
• Calculated formula: C7 H6 O4
• SMILES: OC(=O)c1c(O)c(O)ccc1
• Title of publication: 2,3-Dihydroxybenzoic acid
• Authors of publication: Okabe, Nobuo; Kyoyama, Hasuyo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1224 - o1226
• a: 9.431 ± 0.002 Å
• b: 10.307 ± 0.002 Å
• c: 8.291 ± 0.001 Å
• α: 110.29 ± 0.01°
• β: 113.75 ± 0.01°
• γ: 67.1 ± 0.02°
• Cell volume: 662 ± 0.2 ų
• Cell temperature: 296 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No