L-脯氨酸衍生的手性二氧大环多胺的晶体结构(英文)

Crystal Structure of a L-Proline Derived Chiral Macrocyclic Dioxopolyamine

以L-脯氨酸为原料合成了刚性手性二氧大环多胺(12S)-1,4,7,10-四氮杂二环[10.3.0]十五烷-3,11-二酮,通过元素分析、红外光谱、1HNMR、13CNMR和质谱进行了结构表征,并用X-射线单晶衍射测定了其晶体结构。该化合物为正交晶系,空间群为P2(1)2(1)2(1),晶体结构数据为:Mr=258.33,a=0.51019(8)nm,b=1.26981(18)nm,c=2.0130(3)nm,V=1.3041(3)nm3,D=1.316g/cm3,μ=0.097mm-1,F(000)=560,Z=4,R1=0.0712,ωR2=0.1302。化合物通过分子间氢键(N—H…O)形成了一系列沿a轴的微孔手性通道。

A L-proline derived rigid chiral macrocyclic dioxopolyamine （12S）-1, 4, 7, 10- tetraazadicyclo [-10. 3. 0]-pentadecane-3, 11-dione was synthesized conveniently and efficiently, and characterized by elemental analysis, IR, ^1H and ^13C NMR, MS and X-ray single crystal diffraction. Crystal data for the macrocyclic dioxopolyamine ： orthorhombic space group P2 （1） 2 （1） 2 （1）, Mr=258.33,a=0.51019（8）nm,b=1.26981（18）nm,c=2.0130（3）nm,V=1.3041（3）nm^3,D=1.316g/cm^3,μ=0.097mm^-1,F（000）=560,Z=4,R1=0.0712,ωR2=0.1302. The molecules are packed one by one along a axis through N-H…O hydrogen bonds to form microporous chiral columns.