Information card for entry 2240738

Structure parameters

• Chemical name: 2-(4-Chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole
• Formula: C13 H8 Cl F N2
• Calculated formula: C13 H8 Cl F N2
• Title of publication: Crystal structure of 2-(4-chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Krishnamurthy, M. S.; Begum, Noor Shahina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o387 - o388
• a: 9.2302 ± 0.0004 Å
• b: 9.85 ± 0.0004 Å
• c: 23.1347 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.35 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes