Information card for entry 2240733

Structure parameters

• Chemical name: 2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole
• Formula: C13 H8 F2 N2
• Calculated formula: C13 H8 F2 N2
• SMILES: Fc1ccc(c2[nH]c3c(n2)cccc3)cc1F
• Title of publication: 2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Krishnamurthy, M. S.; Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1689
• a: 8.7195 ± 0.0017 Å
• b: 9.9454 ± 0.0019 Å
• c: 23.389 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes