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
-Butyl [(4-fluoro-3-isopropoxyisoxazol-5-yl)meth-yl](phenyl-sulfon-yl)carbamate.
作者信息
Abdul Manan Mohd Abdul Fatah, Cordes David B
机构信息
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.
出版信息
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。
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