Abstract: The title compound C₉H₁₇NOS was synthesized and its crystal structure was determined by single crystal X-ray diffraction. The crystal is orthorhombic system, space group P2₁2₁2₁ with parameters a=0.670 4(1) nm, b=0.816 7(2) nm,c=1.826 7(4) nm, V=1.000 0(3) nm³, Z=4, Mr=187.30, Dc=1.244 g/cm³, F(000)=408, μ(MoK^α)=0.279 mm^－1. The structure was solved by direct met hods and refined by full matrix least squares to the final R=0.029 5, wR=0.064 2. X-ray analysis reveals that the compound is a single spiral compound. The six-membered ring which is composed of C (1), C (2), C (3), C (4), C (5), and C (6) is chair conformatio n. The fivemembered ring which is composed of C (1), S, C (7), C (8), and N is half-chair conformation. Crystal structural analysis shows that intermolecular hydrogen bonds occur between hydroxyl group and nitrogen atom.

Key words: (R)-2-hydroxymethyl-1-aza-4-thiaspiro［4.5］decane, synthesis, crystal structure, chiral ligand, intermolecular hydrogen bond

摘要： 合成了标题化合物C₉H₁₇NOS，它的晶体结构已经用X-射线单晶衍射法测定。晶体属正交晶系，P2₁2₁2₁空间群，晶胞参数a=0.6704(1)nm，b=0.8167(2)nm，c=1.8267(4)nm，V=1.0000 (3)nm³，Z=4，Mr=187.30，Dc=1.244 g/cm³，F(000)=408，μ (MoK_α)=0.279 mm^－1。晶体结构用直接法解出，经全矩阵最小二乘法对原子参数进行修正，最终的偏离因子为R=0.0295，wR=0.0642。结构测定表明标题化合物是单螺化合物。由C(1)、C(2)、C(3)、C(4)、C(5) 和C(6) 构成的六元环取椅型构象, 由C(1)、S、C(7)、C(8) 和N构成的五元环取半椅型构象, 两个环共用的螺原子C(1)用sp³杂化轨道与其他原子成键。晶体结构分析表明存在着分子间氢键。

关键词: (R)-2-羟甲基-1-氮杂-4-硫杂螺［4.5］癸烷, 合成, 晶体结构, 手性催化剂, 分子间氢键