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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=15.7919(4),b=15.8624(4),c=11.5286(3),β=111.246(2)°,V=2691.60(12)3,Z=4,Mr=640.78,Dc=1.581g/cm3,μ(MoKα)=0.717mm-1,F(000)=1296,S=1.049,R1=0.0518,wR2=0.1393[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键的作用形成一个三维的框架结构。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)和2.916(3)~3.072(3)范围内。
The crystal structure of the compound dipotassium 2,2’-bipyridine-3,3’-dicarboxylate [K4 (BDC) 2] n (1) was obtained by X-ray diffraction. The crystal of the compound belongs to the monoclinic system, Cc space group. Cell parameters: a = 15.7919 (4) , b = 15.8624 4, c = 11.5286 3, β = 111.246 (2) °, V = 2691.60 (12) 3, Z = 4, Mr = 640.78, Dc = 1.581 g / cm3, μ (MoKα) = 0.717 mm-1, F (000) = 1296, S = 1.049, R1 = 0.0518, wR2 = 0.1393 [I> 2σ (I)]. The dianion [BDC] 2- in compound 1 is a multidentate nitrogen and oxygen donor that binds to potassium ions and forms a three-dimensional framework through the interaction of the K-O bond and the K-N bond. The orientation of the two carboxyl groups is distorted relative to the pyridine plane to which they are attached. The twist angles of the two asymmetric bipyridines in Compound 1 are about 74.9 ° and 72.4 °, respectively. The KO and KN bond lengths are 3.056 (3 ) To 3.426 (3) and 2.916 (3) to 3.072 (3) .