摘要
首先合成了标题化合物C20H22N2O2,用元素分析、核磁共振和X-射线单晶衍射法进行了表征和结构分析,该化合物为三斜晶系,空间群:P-1。晶胞参数a=9.846(6),b=10.198(3)(13),c=13.2679(17),α=78.00(3),β=76.390(5),γ=62.938(5),Z=2,V=910.0(7)3,Dc=1.177 g/cm3,F(000)=344,μ(MoKα)=0.763mm-1,R1=0.0809,wR2=0.1958.该化合物中除了烷基链的所有原子基本都在一个平面,并且依靠Π-Π芳环堆积作用组合成3D网状结构。
The title compound 1,4-dialkoxynaphthalo-2,3-dinitrile, C20H22N2O2, has been prepared and characterization by elemental analysis, IR and 1HNMR .The crystal structure was determined by single crystal x-ray diffraction. The crystal is of triclinic, space group P-1 with a=9.846（6）A,b=10.198（3）（13）A,c=132679（17）A,α=78.00（3）,β=76.390（5）,γ=62.938（5）,Z=2,V=910.0（7）A3,Dc=1.177g/cm3,F（000）=344,μ（MoKα）=0.763mm-1,R1=0.0809,wR2=0.1958
the structure was refined to RI= 0.0809 and wR2=0.1958 for 1847 observed reflections （1〉2σ （Ⅰ））. The results of crystal structure determination reveals that The molecule of the title compound, C20H22N202, is essentially planar except for the alkyl chains, which are stacked along the c axis with ∏-∏ interactions.
出处
《山西大同大学学报（自然科学版）》
2011年第4期34-36,共3页
Journal of Shanxi Datong University(Natural Science Edition)
