Information card for entry 2208160

Structure parameters

• Chemical name: Imidazolium 2,4-dihydroxybenzoate
• Formula: C10 H10 N2 O4
• Calculated formula: C10 H10 N2 O4
• SMILES: [nH]1c[nH+]cc1.[O-]C(=O)c1c(O)cc(O)cc1
• Title of publication: Imidazolium 2,4-dihydroxybenzoate
• Authors of publication: Dong-Dong Lin; Jia-Geng Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o451 - o452
• a: 10.172 ± 0.006 Å
• b: 9.824 ± 0.005 Å
• c: 11.433 ± 0.005 Å
• α: 90°
• β: 116.99 ± 0.02°
• γ: 90°
• Cell volume: 1018.1 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.045
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes