Information card for entry 2311129

Structure parameters

• Chemical name: 2-[4-(Trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole
• Formula: C14 H9 F3 N2 O
• Calculated formula: C14 H9 F3 N2 O
• Title of publication: 2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole.
• Authors of publication: Fathima, Nikhath; Krishnamurthy, M. S.; Begum, Noor Shahina
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 2
• Pages of publication: o264
• a: 14.476 ± 0.006 Å
• b: 9.312 ± 0.004 Å
• c: 9.835 ± 0.004 Å
• α: 90°
• β: 108.192 ± 0.008°
• γ: 90°
• Cell volume: 1259.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No