2(S),3(R)-二羟基甲基-N-环己基氮杂环丙烷的合成及其晶体结构

合成了5-(R)-(1R,2S,5R)-孟氧基丁内酯并3,4-b]-2(S)-6(R)-1-N-环己基氮杂环丙烷(3)和2(S),3(R)-二羟基甲基-N-环己基氮杂环丙烷(4),其晶体结构经四圆单晶X-射线衍射仪测定。3属三斜晶系,p1空间群,a=5.438(11),b=8.117(2),c=11.572(2),Mr=335.47,α=96.84(3)°,β=94.48(3)°,γ=101.86(3)°,V=493.5(2)3,Z=1,Dc=1.129g·cm-3,μ=0.074mm-1,F(000)=184,R=0.086,wR=0.2344,1527个独立衍射点。4属单斜晶系,P2(1)/n空间群,a=8.0915(15),b=7.2055(13),c=18.6120(3),Mr=185.26,β=102.086(2)°,V=1061.1(3)3,Z=4,Dc=1.160g·cm-3,μ=0.080mm-1,F(000)=408,R=0.0466,wR=0.1224,1485个独立衍射点。4分子中存在两种分子间氢键。

Synthesis and Crystal Structure of 2(S),3(R)-Dihydroxymethyl-N-cyclohexylaziridine

5-(R)-(1R,2S,5R)-Menthyloxy-butyrolacto3,4-b]-2(S)-6(R)-1-N-cyclohexylaziridine(3) and 2(S),3(R)-dihydroxymethyl-N-cyclohexylaziridine(4) were synthesized and their crystal structures were determined by X-ray diffraction. 3 belongs to the triclinic system and p1 space group with cell parameters: a＝5.438(11)(A), b＝8.117(2) (A),c＝11.572(2)(A),Mr＝335.47,α＝96.84(3) °,β＝94.48(3)°,γ＝101.86(3)°,V＝493.5(2)(A)3, Z＝1, Dc＝1.129 g·cm-3, μ＝0.074mm-1 and F(000)＝184. The final R＝0.086 and wR＝0.234 4 for 1 527 reflections with I＞2σ(I). 4 belongs to the monoclinic system and P2(1)/n space group with cell parameters: a＝8.091 5(15)(A), b＝7.205 5(13)(A), c＝18.612 0(3)(A), Mr＝185.26,β＝102.086(2)°, V＝1 061.1(3)(A)3, Z＝4, Dc＝1.160 g·cm-3, μ＝0.080 mm-1 and F(000)＝408. The final R＝0.046 6 and wR＝0.122 4 for 1 485 reflections with I＞2σ(I). There are two kinds of intermolecular hydrogen bonds in the crystal structure of 4.