新型哌嗪化合物的合成及其晶体结构

以2-［1,2-二(2-羟基苯甲氨基)-2-(吡啶基)乙基］苯酚和2-［1,2-二(2-羟基苯甲氨基)-4-(吡啶基)乙基］苯酚为原料，分别与乙二醛经缩合反应，合成了两个新型的哌嗪化合物--2-【{12-(2-吡啶基)-3,20-二氧-11,21-二氮杂五环［11.7.1.O^2,11.O^4,9.O^14,19］二十一-4,6,8,14,16,18-六环-21-基}甲基】苯酚(2a)和2-【{12-(4-吡啶基)-3,20-二氧-11,21-二氮杂五环［11.7.1.O^2,11.O^4,9.O^14,19］二十一-4,6,8,14,16,18-六环-21-基}甲基】苯酚(2b)，其结构经¹H NMR, ¹³C NMR, FT-IR, ESI-MS和X-射线单晶衍射表征。2a(CCDC: 1 439 422)属单斜晶系，空间群P2₁/n，晶胞参数a=12.250 2(16) ， b=10.299 6(13) ， c=18.296(2) ， β=95.798(2)°， V=2 296.6(5) ³， Dc=1.341 mg·cm^-3，Z=4， F(000)=976， μ=0.088 mm^-1。

Synthesis and Crystal Structures of Novel Piperazine Compounds

Two novel piperazine compounds , 2-[{12-(2-pyridyl)-3,20-dioxo-11,21-diazapentacyclo-[11.7.1.O2,11.O4,9.O14,19]henicosa-4,6,8,14,16,18-hexahydro-21-yl}methyl]phenol(2a) and 2-[{12-(4-pyridyl)-3,20-dioxo-11,21-diazapentacyclo-[11.7.1.O2,11.O4,9.O14,19 ] henicosa-4,6,8, 14,16,18-hexahydro-21-yl}methyl]phenol(2b) were synthesized by condensation of biformyl with 2-[1,2-bis(2-hydroxybenzylamino)-2-(pyridinyl)ethyl]phenol or 2-[1,2-bis(2-hydroxybenzylamino)-4-(pyridinyl)ethyl]phenol.The structures were characterized by 1H NMR, 13C NMR, FT-IR, ESI-MS and X-ray single crystal diffraction.2a(CCDC: 1 439 422) belongs to monoclinic system and space group P21/n.The cell parameters of 2a were a=12.250 2(16) ?, b=10.299 6(13) ?, c=18.296(2) ?,β=95.798(2)°, V=2 296.6(5) ?3, Dc=1.341 mg· cm -3, Z=4, F(000) =976,μ=0.088 mm-1 .