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

IUCrData Pub Date : 2025-05-01 DOI:10.1107/S2414314625003852

Mohd Abdul Fatah Abdul Manan , David B. Cordes

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Abstract

The crystal structure of a 4-fluoroisoxazole compound bearing a sulfonamide functionality is described.

The title compound, C₁₈H₂₃FN₂O₆S, a new derivative of a fluoroisoxazole containing sulfonamide functionality has been structurally characterized. The C—S—N—C_ipr and C—S—N—C_carb (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.

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叔丁基氨基甲酸((4-fluoro-3-isopropoxyisoxazol-5-yl)木头)(phenyl-sulfon-yl)。

标题化合物C18H23FN2O6S是一种含磺酰胺官能团的氟异恶唑的新衍生物。C-S-N-Cipr和C-S-N-Ccarb （ipr = 3-异丙氧基异恶唑，carb =氨基甲酸酯）的扭转角分别为111.1(3)°和-70.0(4)°。该结构的磺胺官能团的S=O键长分别为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。晶体填料具有非经典的C-H⋯O氢键相互作用，羰基原子作为分岔受体，形成r12(8)环。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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