Information card for entry 7155471

Structure parameters

• Chemical name: N-benzyl-4-methyl-N-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)benzenesulfonamide
• Formula: C24 H20 F3 N3 O2 S
• Calculated formula: C24 H20 F3 N3 O2 S
• Title of publication: Synthesis of aminopyrazoles from sydnones and ynamides.
• Authors of publication: Wezeman, T.; Comas-Barceló, J; Nieger, M.; Harrity, J. P. A.; Bräse, S
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1575 - 1579
• a: 5.9736 ± 0.0003 Å
• b: 9.6554 ± 0.0005 Å
• c: 19.0149 ± 0.0009 Å
• α: 83.76 ± 0.002°
• β: 86.84 ± 0.002°
• γ: 77.757 ± 0.002°
• Cell volume: 1064.86 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No