Information card for entry 2239267

Structure parameters

• Chemical name: 1-(4-Fluorobenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole
• Formula: C19 H14 F N3
• Calculated formula: C19 H14 F N3
• SMILES: Fc1ccc(cc1)Cn1c(nc2c1cccc2)c1ccccn1
• Title of publication: 1-(4-Fluorobenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole
• Authors of publication: Çelik, Ömer; Anĝay, Fırat; Gündoĝan, Mustafa; Ulusoy, Mahmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o485
• a: 4.7363 ± 0.0005 Å
• b: 15.4102 ± 0.0017 Å
• c: 20.953 ± 0.002 Å
• α: 90°
• β: 95.363 ± 0.008°
• γ: 90°
• Cell volume: 1522.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0559
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes