Information card for entry 2239378

Structure parameters

• Chemical name: 5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole
• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: Cc1cc2c(cc1C)nc(n2Cc1ccccn1)c1ccccn1
• Title of publication: 5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole
• Authors of publication: Geiger, David K.; DeStefano, Matthew R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o365
• a: 35.544 ± 0.004 Å
• b: 6.1194 ± 0.0005 Å
• c: 16.505 ± 0.0019 Å
• α: 90°
• β: 113.273 ± 0.004°
• γ: 90°
• Cell volume: 3297.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes