Kim Nam-Ho, Hwang In-Chul, Ha Kwang
Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):m615-6. doi: 10.1107/S1600536809016262.
In the title compound, [PdCl(2)(C(10)H(8)N(2))]·CH(2)Cl(2), the Pd(2+) ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the 2,2'-bipyridine (bipy) ligand and two chloride ions. The compound displays intra-molecular C-H⋯Cl hydrogen bonds and pairs of complex mol-ecules are connected by inter-molecular C-H⋯Cl hydrogen bonds. Inter-molecular π-π inter-actions are present between the pyridine rings of the ligand, the shortest centroid-centroid distance being 4.096 (3) Å. As a result of the electronic nature of the chelate ring, it is possible to create π-π inter-actions to its symmetry-related counterpart [3.720 (2) Å] and also with a pyridine ring [3.570 (3) Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicente et al. (1997 ▶). Private communication (refcode PYCXMN02). CCDC, Cambridge, England]. In the new structure refinement all H atoms were located in a difference Fourier synthesis. Their coordinates were refined freely, together with isotropic displacement parameters.
在标题化合物[PdCl₂(C₁₀H₈N₂)]·CH₂Cl₂中，Pd²⁺离子在略微扭曲的平面正方形环境中通过2,2'-联吡啶（bipy）配体的两个N原子和两个氯离子进行四配位。该化合物呈现分子内C—H⋯Cl氢键，成对的络合分子通过分子间C—H⋯Cl氢键相连。配体的吡啶环之间存在分子间π-π相互作用，最短的质心-质心距离为4.096 (3) Å。由于螯合环的电子性质，有可能与其对称相关的对应物形成π-π相互作用[3.720 (2) Å]，也能与bipy单元的吡啶环[3.570 (3) Å]形成π-π相互作用。目前的结构是对先前结构的重新测定[维森特等人（1997年▶）。私人通信（参考代码PYCXMN02）。英国剑桥晶体学数据中心]。在新的结构精修中，所有H原子均在差值傅里叶合成中定位。它们的坐标与各向同性位移参数一起自由精修。
