Information card for entry 2207419

Structure parameters

• Chemical name: Benzimidazole-2-carboxylic acid monohydrate
• Formula: C8 H8 N2 O3
• Calculated formula: C8 H8 N2 O3
• SMILES: O=C([O-])c1[nH]c2ccccc2[nH+]1.O
• Title of publication: 1<i>H</i>-Benzimidazole-2-carboxylic acid monohydrate
• Authors of publication: Sławomir Krawczyk; Maria Gdaniec; Franciszek Sa̧czewski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4185 - o4187
• a: 4.408 ± 0.0015 Å
• b: 8.877 ± 0.003 Å
• c: 10.757 ± 0.003 Å
• α: 72.2 ± 0.03°
• β: 87.67 ± 0.03°
• γ: 88.53 ± 0.03°
• Cell volume: 400.4 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No