Information card for entry 2007892

Structure parameters

• Chemical name: 1,2-Dimethyl-pyrido[2,1-b]benzimidazole-4-carbonitrile
• Formula: C14 H11 N3
• Calculated formula: C14 H11 N3
• SMILES: n12c(c(cc(c2nc2ccccc12)C#N)C)C
• Title of publication: 1,2-Dimethylpyrido[1,2-<i>a</i>]benzimidazole-4-carbonitrile
• Authors of publication: Elgemeie, Galal E. H.; Metwally, Nadia H.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1871 - 1873
• a: 7.469 ± 0.002 Å
• b: 8.106 ± 0.002 Å
• c: 18.238 ± 0.004 Å
• α: 90°
• β: 93.78 ± 0.03°
• γ: 90°
• Cell volume: 1101.8 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes