Hökelek Tuncer, Süzen Yasemin, Tercan Barış, Tenlik Erdinç, Necefoğlu Hacali
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):m784-5. doi: 10.1107/S160053681002194X.
In the title complex, [Co(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], the Co(II) atom is coordinated by three O atoms from two 4-meth-oxy-benzoate ligands, which act in different modes, viz. monodentate and bidentate, two water mol-ecules and one N atom of the isonicotinamide ligand in a distorted octa-hedral geometry. The monodentate-coordinated carboxyl-ate group is involved in an intra-molecular O-H⋯O hydrogen bond with the coordinated water mol-ecule. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane. The crystal packing is further stabilized by weak C-H⋯O hydrogen bonds and π-π inter-actions indicated by the short distance of 3.6181 (8) Å between the centroids of the benzene and pyridine rings of neighbouring mol-ecules.
在标题配合物[Co(C₈H₇O₃)₂(C₆H₆N₂O)(H₂O)₂]中，Co(II)原子由来自两个4-甲氧基苯甲酸酯配体的三个O原子配位，这两个配体以不同模式起作用，即单齿和双齿，还有两个水分子以及异烟酰胺配体的一个N原子，形成扭曲的八面体几何构型。单齿配位的羧酸根基团与配位水分子形成分子内O—H⋯O氢键。在晶体结构中，分子间O—H⋯O和N—H⋯O氢键将分子连接成平行于ab平面的层。晶体堆积通过弱C—H⋯O氢键和π—π相互作用进一步稳定，相邻分子苯环和吡啶环中心之间的短距离3.6181 (8) Å表明了这种π—π相互作用。
