Son Kyung-Sun, Woo Jeong Oh, Kim Daeyoung, Kang Sung Kwon
Department of Chemistry, Chungnam National University, Daejeon 305-764, Republic of Korea.
Acta Crystallogr E Crystallogr Commun. 2015 Mar 4;71(Pt 4):m75-6. doi: 10.1107/S2056989015003862. eCollection 2015 Apr 1.
In the title complex, [CoCl2(C25H21N5)], the Co(II) atom is coordinated by two Cl atoms and two N atoms, provided by a tridentate pyrazolylpyridyl ligand, forming a slightly distorted tetra-hedral geometry [range of angles: 96.51 (10) (chelate ring) to 118.60 (9)°]. The dihedral angle between Cl/Co/Cl and N/Co/N planes is 86.83 (7)°. The chelate ring has the conformation of a distorted boat. The dihedral angle between pyridyl ring and the coordinated pyrazolyl ring is 56.16 (12)°. The uncoordinated pyrazolyl ring is almost perpendicular to the pyridyl ring with the dihedral angle of 87.49 (10)°. In the crystal packing, inter-molecular phenyl-C-H ⋯π(pyrid-yl) inter-actions generate dimeric aggregates. These are connected into a zigzag supra-molecular chain along the c-axis direction via π-π inter-actions [inter-centroid distance between pyridyl and phenyl rings = 3.664 (2) Å].
在标题配合物[CoCl₂(C₂₅H₂₁N₅)]中，Co(II)原子由两个Cl原子和两个N原子配位，这两个N原子由一个三齿吡唑基吡啶配体提供，形成略微扭曲的四面体几何构型[角度范围：96.51 (10)°（螯合环）至118.60 (9)°]。Cl/Co/Cl平面与N/Co/N平面之间的二面角为86.83 (7)°。螯合环具有扭曲船型的构象。吡啶环与配位的吡唑基环之间的二面角为56.16 (12)°。未配位的吡唑基环几乎垂直于吡啶环，二面角为87.49 (10)°。在晶体堆积中，分子间的苯基-C-H⋯π(吡啶基)相互作用产生二聚体聚集体。这些通过π-π相互作用[吡啶基环与苯基环之间的质心间距 = 3.664 (2) Å]沿c轴方向连接成之字形超分子链。
