Information card for entry 2240726

Structure parameters

• Common name: Benzimidazole
• Chemical name: 2-(1<i>H</i>-Benzimidazol-2-yl)phenol
• Formula: C13 H10 N2 O
• Calculated formula: C13 H10 N2 O
• SMILES: Oc1c(c2[nH]c3ccccc3n2)cccc1
• Title of publication: 2-(1<i>H</i>-Benzimidazol-2-yl)phenol
• Authors of publication: Prakash, S. M.; Thiruvalluvar, A.; Rosepriya, S.; Srinivasan, N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o184
• a: 16.864 ± 0.004 Å
• b: 4.7431 ± 0.0008 Å
• c: 12.952 ± 0.002 Å
• α: 90°
• β: 102.34 ± 0.02°
• γ: 90°
• Cell volume: 1012.1 ± 0.3 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: 0.1458
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes