Information card for entry 7051843

Structure parameters

• Formula: C10 H10 N2 O2
• Calculated formula: C10 H10 N2 O2
• SMILES: [O-]C(=O)CCc1[nH]c2ccccc2[nH+]1
• Title of publication: The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids
• Authors of publication: Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 1394
• a: 16.1313 ± 0.0016 Å
• b: 5.0524 ± 0.0004 Å
• c: 11.8012 ± 0.0013 Å
• α: 90°
• β: 109.906 ± 0.011°
• γ: 90°
• Cell volume: 904.35 ± 0.16 ų
• Cell temperature: 200 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 significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No