丁基[(4-氟-3-异丙氧基异恶唑-5-基)甲基](苯磺酰基)氨基甲酸酯

Abdul Manan Mohd Abdul Fatah, Cordes David B

Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia.

EaStCHEM School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, United Kingdom.

IUCrdata. 2025 May 2;10(Pt 5):x250385. doi: 10.1107/S2414314625003852. eCollection 2025 May.

The title compound, CHFNOS, a new derivative of a fluoro-isoxazole containing sulfonamide functionality has been structurally characterized. The C-S-N-C and C-S-N-C (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 inter-actions, with the carbonyl atom acting as a bifurcated acceptor, resulting in an (8) ring.

标题化合物CHFNOS，一种含有磺酰胺官能团的氟代异恶唑新衍生物，已通过结构表征。C-S-N-C和C-S-N-C（ipr = 3-异丙氧基异恶唑，carb = 氨基甲酸酯）扭转角分别为111.1 (3)°和 -70.0 (4)°。该结构的磺酰胺官能团的S=O键长为1.403 (3) 和1.433 (3) Å，S-N键长为1.672 (4) Å，S-C键长为1.753 (4) Å。晶体堆积具有非经典的C-H⋯O氢键相互作用，羰基原子作为分叉受体，形成一个 (8) 环。