CAJ | 학술논문

通过X射线衍射得到化合物2,2'-联吡啶-3,3'-二羧酸二钾[K4(BDC)2]n(1)的晶体结构,化合物晶体属于单斜晶系,非中心对称Cc空间群.晶胞参数:a=15.791 9(4)(A),b=15.862 4(4)(A),c=11.528 6(3)(A),β=111.246(2)°,V=2 691.60(12)(A)3,Z=4,Mr=640.78,Dc=1.581 g/cm3,μ(MoKα)=0.717 mm-1,F(000)=1296,S=1.049,R1=0.051 8,wR2=0.139 3[I>2σ(I)].化合物1中的二价阴离子[BDC]2-是与钾离子结合的多齿氮、氧给合体,并通过K-O键和K-N键的作用形成-个三维的框架结构.两个羧基的方向相对于其相连的吡啶平面是扭曲的,在化合物1中两个不对称联吡啶的扭曲角度分别约为74.9°和72.4°,K-O键和K-N键键长分别在3.056(3)～3.426(3)(A)和2.916(3)～3.072(3)(A)范围内.
통과X사선연사득도화합물2,2'-련필정-3,3'-이최산이갑[K4(BDC)2]n(1)적정체결구,화합물정체속우단사정계,비중심대칭Cc공간군.정포삼수:a=15.791 9(4)(A),b=15.862 4(4)(A),c=11.528 6(3)(A),β=111.246(2)°,V=2 691.60(12)(A)3,Z=4,Mr=640.78,Dc=1.581 g/cm3,μ(MoKα)=0.717 mm-1,F(000)=1296,S=1.049,R1=0.051 8,wR2=0.139 3[I>2σ(I)].화합물1중적이개음리자[BDC]2-시여갑리자결합적다치담、양급합체,병통과K-O건화K-N건적작용형성-개삼유적광가결구.량개최기적방향상대우기상련적필정평면시뉴곡적,재화합물1중량개불대칭련필정적뉴곡각도분별약위74.9°화72.4°,K-O건화K-N건건장분별재3.056(3)～3.426(3)(A)화2.916(3)～3.072(3)(A)범위내.
The crystal structure of dipotassium 2,2'-bipyridine-3,3'-dicarboxylate[K4(BDC)2]n (1)has been determined by X-ray analysis.It crystallizes in monoclinie,non-center symmetric space group Cc with a,=15.791 9(4)(A),b=15.862 4(4)(A),c=11.528 6(3)(A),β=111.246(2)°,V=269 1.60(12)(A)3,Z=4,Mr=640.78,Dc=1.581 g/cm3,μ(MoKα)=0.710 73 mm-1,F(000)=1296,S=1.049,the final R1=9.051 8 and wR2=0.139 3 for 4751 observed reflections with I>2σ (I)and 361 variables.The dianion[BDC]2- in 1 is a mulfi-dentate N,O-donor to bind witll potassium ions,forming a three-dimensional framework by way of the K-O and K-N contacts.The orientation of two carboxylate groups is twisted relative to their associated pyridine planes which are highly distorted at angles of approximately 74.9° and 72.4° for two asymmetric bipyridines in 1.The K-O and K-N separations are in the ranges of 3.056 (3)～3.426(3)A and 2.916(3)～3.072(3)(A),respectively.