Information card for entry 2234238

Structure parameters

• Chemical name: 4-[5-(Furan-2-yl)-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide
• Formula: C14 H10 F3 N3 O3 S
• Calculated formula: C14 H10 F3 N3 O3 S
• SMILES: FC(c1nn(c(c1)c1ccco1)c1ccc(cc1)S(=O)(=O)N)(F)F
• Title of publication: 4-[5-(Furan-2-yl)-3-trifluoromethyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1168 - o1169
• a: 16.0536 ± 0.0013 Å
• b: 4.8173 ± 0.0004 Å
• c: 20.6202 ± 0.0015 Å
• α: 90°
• β: 110.728 ± 0.008°
• γ: 90°
• Cell volume: 1491.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes