Information card for entry 2237894

Structure parameters

• Chemical name: 2-(Pyridin-4-yl)-1<i>H</i>-benzimidazole
• Formula: C12 H9 N3
• Calculated formula: C12 H9 N3
• SMILES: [nH]1c2c(nc1c1ccncc1)cccc2
• Title of publication: 2-(Pyridin-4-yl)-1<i>H</i>-benzimidazole
• Authors of publication: Geiger, David K.; Bond, Christopher J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o869
• a: 6.0602 ± 0.0014 Å
• b: 11.61 ± 0.003 Å
• c: 13.892 ± 0.004 Å
• α: 90°
• β: 101.838 ± 0.008°
• γ: 90°
• Cell volume: 956.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes