Information card for entry 2234251

Structure parameters

• Chemical name: 4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate
• Formula: C11 H7 F3 N2 O4 S2
• Calculated formula: C11 H7 F3 N2 O4 S2
• SMILES: s1ccnc1NS(=O)(=O)c1ccc(OC(=O)C(F)(F)F)cc1
• Title of publication: 4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate
• 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: o1156
• a: 8.7498 ± 0.0005 Å
• b: 14.4343 ± 0.0009 Å
• c: 10.7225 ± 0.0005 Å
• α: 90°
• β: 96.749 ± 0.005°
• γ: 90°
• Cell volume: 1344.84 ± 0.13 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: 0.098
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes