Information card for entry 2230011

Structure parameters

• Chemical name: Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>- benzimidazole-5-carboxylate
• Formula: C23 H24 F3 N3 O3
• Calculated formula: C23 H24 F3 N3 O3
• SMILES: FC(F)(F)c1ccc(c2n(c3c(n2)cc(cc3)C(=O)OCC)CCN2CCOCC2)cc1
• Title of publication: Ethyl 1-[2-(morpholin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole-5-carboxylate
• Authors of publication: Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1215
• a: 10.1463 ± 0.0002 Å
• b: 10.5595 ± 0.0002 Å
• c: 11.5775 ± 0.0002 Å
• α: 96.868 ± 0.001°
• β: 109.638 ± 0.001°
• γ: 110.833 ± 0.001°
• Cell volume: 1050.83 ± 0.04 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: 0.045
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes