tert-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)methyl](phenylsulfonyl)carbamate

Abstract

The title compound, C18H23FN2O6S, a new derivative of a fluoroisoxazole containing sulfonamide functionality has been structurally characterized. The C—S—N—Cipr and C—S—N—Ccarb (ipr = 3-isopropoxyisoxazole, carb = carbamate) torsion angles are 111.1 (3)° and −70.0 (4)°, respectively. The sulfonamide functional group of this structure features S=O bond lengths of 1.403 (3) and 1.433 (3) Å, an S—N bond length of 1.672 (4) Å, and an S—C bond length of 1.753 (4) Å. The crystal packing features non-classical C—H...O hydrogen-bond interactions, with the carbonyl atom acting as a bifurcated acceptor, resulting in an R12(8) ring.

Keywords

• crystal structure
• isoxazole
• fluorine
• n-fluorobenzenesulfonimide
• sulfonamide
• bifurcated hydrogen bond