Information card for entry 2207790

Structure parameters

• Chemical name: Benzimidazolium 3,5-dihydroxybenzoate
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: [nH]1c[nH+]c2ccccc12.[O-]C(=O)c1cc(O)cc(O)c1
• Title of publication: Benzimidazolium 3,5-dihydroxybenzoate
• Authors of publication: Xuan Huang; Jia-Geng Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o276 - o278
• a: 16.297 ± 0.004 Å
• b: 10.6 ± 0.003 Å
• c: 14.649 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2530.6 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes