Information card for entry 2226718

Structure parameters

• Chemical name: <i>N</i>-(4-cyano-3-(trifluromethyl)phenyl)-2-ethoxybenzamide
• Formula: C17 H13 F3 N2 O2
• Calculated formula: C17 H13 F3 N2 O2
• SMILES: N(c1ccc(C#N)c(c1)C(F)(F)F)C(=O)c1c(OCC)cccc1
• Title of publication: <i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
• Authors of publication: Naveen, S.; Basappa; Manjunath, H. R.; Sridhar, M. A.; Shashidhara Prasad, J.; Rangappa, K. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1533
• a: 10.501 ± 0.0013 Å
• b: 12.883 ± 0.0016 Å
• c: 11.613 ± 0.0014 Å
• α: 90°
• β: 101.653 ± 0.006°
• γ: 90°
• Cell volume: 1538.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes