Information card for entry 8105267

Structure parameters

• Formula: C20 H10 Cl2 F6 N4 O2 S
• Calculated formula: C20 H10 Cl2 F6 N4 O2 S
• Title of publication: The synthesis and crystal structure of N-(3-cyano-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl)-2-phenylacetamide, C20H10N4Cl2F6O2S
• Authors of publication: Chen, Lianqing; Tang, Chenglong; Long, Zhang; Wu, Zhongda
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 721 - 723
• a: 11.5523 ± 0.0017 Å
• b: 16.12 ± 0.002 Å
• c: 13.0228 ± 0.0018 Å
• α: 90°
• β: 114.297 ± 0.002°
• γ: 90°
• Cell volume: 2210.3 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1699
• 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: Yes
• Has Fobs: No