Li Cai-Yun, Tong Xiao-Lan, Hu Tong-Liang
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):m856. doi: 10.1107/S1600536808015821.
The title compound, [CoBr(2)(C(18)H(12)N(6)S)], is a mononuclear complex in which a twofold rotation axis passes through the Co and S atoms. The Co(II) center is six-coordinated by four N atoms from one bis-[4-(2-pyrid-yl)pyrimidin-2-yl] sulfide (L) ligand and two bromide anions, forming an octa-hedral coordination geometry, where the four donor N atoms are located in the equatorial plane and the Br atoms occupy the axial positions. The sum of the bond angles around the Co atom in the equatorial plane is 360.5°, with the four N atoms and the central Co atom almost coplanar. In the crystal structure, the mononuclear units are linked by π-π stacking inter-actions (the inter-planar distances are 3.469 and 3.533 Å, and the corresponding centroid-centroid distances are 3.791 and 3.896 Å) into a three-dimensional supra-molecular network.
标题化合物[CoBr₂(C₁₈H₁₂N₆S)]是一种单核配合物，其中一个二重旋转轴穿过钴原子和硫原子。Co(II)中心由来自一个双-[4-(2-吡啶基)嘧啶-2-基]硫化物（L）配体的四个氮原子和两个溴阴离子六配位，形成八面体配位几何构型，其中四个供体氮原子位于赤道平面，溴原子占据轴向位置。赤道平面上围绕钴原子的键角总和为360.5°，四个氮原子和中心钴原子几乎共面。在晶体结构中，单核单元通过π-π堆积相互作用（平面间距离为3.469和3.533 Å，相应的质心-质心距离为3.791和3.896 Å）连接成三维超分子网络。
