Information card for entry 2236435

Structure parameters

• Chemical name: Ethyl 1-phenyl-2-[4-(trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C23 H17 F3 N2 O3
• Calculated formula: C23 H17 F3 N2 O3
• SMILES: FC(F)(F)Oc1ccc(c2nc3c(n2c2ccccc2)ccc(c3)C(=O)OCC)cc1
• Title of publication: Ethyl 1-phenyl-2-[4-(trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2715 - o2716
• a: 8.0204 ± 0.0004 Å
• b: 10.8943 ± 0.0006 Å
• c: 11.4329 ± 0.0007 Å
• α: 76.706 ± 0.004°
• β: 83.269 ± 0.004°
• γ: 81.227 ± 0.004°
• Cell volume: 957.31 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes