Information card for entry 2208864

Structure parameters

• Chemical name: 2-(4-chlorophenyl)-<i>N</i>-{3-cyano-1-[2,6-dichloro-4- (trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}-3-methylbutanamide ethanol solvate
• Formula: C24 H22 Cl3 F3 N4 O2
• Calculated formula: C24 H22 Cl3 F3 N4 O2
• Title of publication: 2-(4-Chlorophenyl)-<i>N</i>-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazol-5-yl}-3-methylbutanamide ethanol solvate
• Authors of publication: Jing-Li Cheng; Fang-Lin Wei; Wen-Jun Gui; Guo-Nian Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1836 - o1838
• a: 10.139 ± 0.004 Å
• b: 10.652 ± 0.005 Å
• c: 12.827 ± 0.007 Å
• α: 73.255 ± 0.018°
• β: 83.517 ± 0.019°
• γ: 89.185 ± 0.015°
• Cell volume: 1317.9 ± 1.1 ų
• Cell temperature: 243 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes