Information card for entry 2241116

Structure parameters

• Common name: Benzimidazolium salicylate
• Chemical name: 1<i>H</i>-Benzo[<i>d</i>]imidazol-3-ium 2-hydroxybenzoate
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: c1(ccccc1O)C(=O)[O-].c12ccccc1[nH+]c[nH]2
• Title of publication: Crystal structure of benzimidazolium salicylate
• Authors of publication: Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o794 - o795
• a: 7.4776 ± 0.0003 Å
• b: 6.7002 ± 0.0002 Å
• c: 24.9017 ± 0.0009 Å
• α: 90°
• β: 94.445 ± 0.002°
• γ: 90°
• Cell volume: 1243.86 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes