Information card for entry 2235037

Structure parameters

• Chemical name: Ethyl 1-phenyl-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate
• Formula: C23 H17 F3 N2 O2
• Calculated formula: C23 H17 F3 N2 O2
• SMILES: FC(F)(F)c1ccc(c2nc3c(n2c2ccccc2)ccc(c3)C(=O)OCC)cc1
• Title of publication: Ethyl 1-phenyl-2-[4-(trifluoromethyl)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: 6
• Pages of publication: o1864 - o1865
• a: 9.8548 ± 0.0002 Å
• b: 25.0714 ± 0.0006 Å
• c: 16.0566 ± 0.0004 Å
• α: 90°
• β: 107.023 ± 0.001°
• γ: 90°
• Cell volume: 3793.35 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.134
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes