Information card for entry 2212733

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-1H-benzimidazole
• Formula: C13 H9 F N2
• Calculated formula: C13 H9 F N2
• SMILES: Fc1ccc(c2[nH]c3ccccc3n2)cc1
• Title of publication: 2-(4-Fluorophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Rashid, Naghmana; Tahir, Muhammad K.; Kanwal, Shahnaz; Yusof, Nurdiyana M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1402 - o1403
• a: 8.574 ± 0.002 Å
• b: 9.83 ± 0.003 Å
• c: 24.68 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2080.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes