Information card for entry 2231800

Structure parameters

• Chemical name: 4-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzoic acid
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: n1(c2ccccc2nc1)Cc1ccc(C(=O)O)cc1
• Title of publication: Monoclinic polymorph of 4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid
• Authors of publication: Kuai, Hai-Wei; Cheng, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2787
• a: 10.435 ± 0.002 Å
• b: 14.36 ± 0.003 Å
• c: 8.2922 ± 0.0017 Å
• α: 90°
• β: 96.925 ± 0.003°
• γ: 90°
• Cell volume: 1233.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes