Information card for entry 8106791

Structure parameters

• Formula: C21 H18 F N3 O3 S
• Calculated formula: C21 H18 F N3 O3 S
• Title of publication: Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C21H18FN3O3S
• Authors of publication: Aydın, Abdullah; Bilginer, Sinan; Gul, Halise Inci; Akkurt, Mehmet; Mete, Ebru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 81 - 83
• a: 11.6665 ± 0.0003 Å
• b: 5.7483 ± 0.0002 Å
• c: 14.7695 ± 0.0004 Å
• α: 90°
• β: 103.841 ± 0.001°
• γ: 90°
• Cell volume: 961.72 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No