Information card for entry 2234612

Structure parameters

• Chemical name: 2-Trifluoromethyl-1<i>H</i>-benzimidazole
• Formula: C8 H5 F3 N2
• Calculated formula: C8 H5 F3 N2
• Title of publication: 2-Trifluoromethyl-1<i>H</i>-benzimidazole
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1518
• a: 11.859 ± 0.002 Å
• b: 7.2154 ± 0.0014 Å
• c: 19.508 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes