Näther Christian, Jess Inke
Institut für Anorganische Chemie, Universität Kiel, Germany.
Acta Crystallogr E Crystallogr Commun. 2024 Sep 20;80(Pt 10):1029-1033. doi: 10.1107/S2056989024009058. eCollection 2024 Sep 1.
Reaction of 4-methyl-pyridine -oxide and Co(NCS) in ethanol as solvent accidentally leads to the formation of single crystals of Co(NCS)(4-methyl-pyridine -oxide)(ethanol) or [Co(NCS)(CHNO)(CHO)] . The asymmetric unit of the title compound consists of one Co cation, two crystallographically independent thio-cyanate anions, one 4-methyl-pyridine -oxide coligand and one ethanol mol-ecule on general positions. The cobalt cations are sixfold coordinated by one terminal and two bridging thio-cyanate anions, two bridging 4-methyl-pyridine -oxide coligands and one ethanol mol-ecule, with a slightly distorted octa-hedral geometry. The cobalt cations are linked by single μ-1,3(,)-bridging thio-cyanate anions into corrugated chains, that are further connected into layers by pairs of μ-1,1(,)-bridging 4-methyl-pyridine -oxide coligands. The layers are parallel to the plane and are separated by the methyl groups of the 4-methyl-pyridine -oxide coligands. Within the layers, intra-layer hydrogen bonding is observed.
4-甲基吡啶-N-氧化物与Co(NCS)在乙醇溶剂中反应意外生成了Co(NCS)(4-甲基吡啶-N-氧化物)(乙醇)或[Co(NCS)(C₅H₇NO)(C₂H₅OH)]的单晶。标题化合物的不对称单元由一个Co阳离子、两个晶体学独立的硫氰酸根阴离子、一个4-甲基吡啶-N-氧化物配体和一个位于一般位置的乙醇分子组成。钴阳离子由一个端基硫氰酸根阴离子、两个桥连硫氰酸根阴离子、两个桥连4-甲基吡啶-N-氧化物配体和一个乙醇分子六配位，具有轻微扭曲的八面体几何构型。钴阳离子通过单μ-1,3(,)-桥连硫氰酸根阴离子连接成波纹链，这些链通过成对的μ-1,1(,)-桥连4-甲基吡啶-N-氧化物配体进一步连接成层。这些层平行于平面，并被4-甲基吡啶-N-氧化物配体的甲基隔开。在层内，观察到层内氢键。
