Information card for entry 2228780

Structure parameters

• Chemical name: <i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
• Formula: C16 H11 F3 N2 O2
• Calculated formula: C16 H11 F3 N2 O2
• SMILES: FC(F)(F)c1cc(NC(=O)c2c(OC)cccc2)ccc1C#N
• Title of publication: <i>N</i>-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methoxybenzamide
• Authors of publication: Nanjunda Swamy, S.; Manjunath, H. R.; Priya, B. S.; Basappa; Sridhar, M. A.; Rangappa, K. S
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o198
• a: 15.117 ± 0.002 Å
• b: 13.907 ± 0.002 Å
• c: 14.541 ± 0.0011 Å
• α: 90°
• β: 107.36 ± 0.008°
• γ: 90°
• Cell volume: 2917.7 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes