Information card for entry 7240546

Structure parameters

• Common name: 2-(2-fluorophenyl)-1H-benzimidazole
• Chemical name: 2-(2-fluorophenyl)-1H-benzimidazole
• Formula: C13 H9 F N2
• Calculated formula: C13 H9 F N2
• Title of publication: Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles
• Authors of publication: Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.1246 ± 0.0003 Å
• b: 10.0327 ± 0.0004 Å
• c: 29.6291 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.86 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1422
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No