Information card for entry 2203758

Structure parameters

• Chemical name: 1-n-Butyl-2-(4'-fluorophenyl)-1H-benzimidazole-6-carbonitrile
• Formula: C18 H16 F N3
• Calculated formula: C18 H16 F N3
• SMILES: c1(ccc(cc1)c1nc2c(cc(cc2)C#N)n1CCCC)F
• Title of publication: 1-<i>n</i>-Butyl-2-(4'-fluorophenyl)-1<i>H</i>-benzimidazole-6-carbonitrile
• Authors of publication: Kazak, Canan; Yilmaz, Veysel T.; Goker, Hakan; Kus, Canan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m819 - m821
• a: 18.0843 ± 0.0005 Å
• b: 8.198 ± 0.0014 Å
• c: 21.469 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3182.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes