Information card for entry 2311245

Structure parameters

• Chemical name: 2-[4-(Trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole
• Formula: C14 H9 F3 N2
• Calculated formula: C14 H9 F3 N2
• SMILES: [nH]1c2ccccc2nc1c1ccc(cc1)C(F)(F)F
• Title of publication: 2-[4-(Tri-fluoro-meth-yl)phen-yl]-1H-benzimidazole.
• Authors of publication: Krishnamurthy, M. S.; Begum, Noor Shahina
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 7
• Pages of publication: o760
• a: 9.2292 ± 0.0009 Å
• b: 9.8117 ± 0.001 Å
• c: 25.347 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2295.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No