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在甲醇溶液中用 Na BH4 还原 1 ,4-二 (2 -甲酰基苯基 ) - 1 ,4-二氧丁烷制备了一个全新的配体 (L) 1 ,4-二 (2 -羟甲基苯基 ) - 1 ,4-二氧丁烷 ,并得到配体 (L)的单晶晶体结构。该晶体属正交晶系 ,空间群为 Pbcn a=1 3.777(1 1 ) ,b=1 1 .731 (1 0 ) ,c=9.0 76(8) α=β=γ=90°,v=1 466.8(2 ) 3 z=4,Dx=1 .2 4 g/cm3,μ(M0 ka) =0 .0 89nm-1 Mr=2 74.30 F(0 0 0 ) =584,R=0 .0 32 4 ,Rw=0 .1 0 2 5 (w-1=α2 (F20 ) +(0 .1 0 0 p) 2 +0 .0 0 0 p) p=(F20 +2 F2c) /3。分子中的两个苯环平面并非处在一个平面上 ,其二面角为 60 .6°,表明分子处在折叠状态
Abstract：A new ligand 1 ,4- bis(2 - hydroxymethylphenyl) - 1 ,4- dioxabutane was synthesized by reducing 1 , 4- bis(2 - formaylphenyl) - 1 ,4- dioxabutane with Na BH4 in absolute methanol solution.The crystal structure of the title compound C16H18O4 has been determined by single crystal X- ray diffraction.The crystal is orthorhombic with space group Pbcn,a=1 3.777(1 1 ) ,b=1 1 .731 91 0 ) ,c=9.0 76(8) ,α=β=γ=90°,V = 1 466.8(2 ) 3,Z=4,Dx=1 .2 4 g/cm3,μ(Mo,Kα) =0 .0 89mm-1,Mr=2 74.30 ,F(OOO) =548.The final R factor is0 .0 32 4 and Rω is0 .1 0 2 5(ω- 1 =(σ2 (F20 ) +(0 .1 0 0 P) 2 +0 .0 0 P) ,P=(F20 +2 F2c) /3.The two benzene rings are not in the same plane and the dihedral angle between them is60 .6°,the molecule is in a folded state.
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基本信息:
中图分类号:O76
引用信息:
[1]陈华,钱保华,张明星.一个全新配体的合成及晶体结构研究[J].淮海工学院学报(自然科学版),1998(01):40-42.
1998-03-30
1998-03-30