Suckert Stefan, Wöhlert Susanne, Jess Inke, Näther Christian
Institut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany.
Acta Crystallogr E Crystallogr Commun. 2015 Dec 24;71(Pt 12):m269-70. doi: 10.1107/S2056989015024184. eCollection 2015 Dec 1.
In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·3C6H8N2, the Co(II) cation is coordinated by two terminally N-bound thio-cyanate anions, two water mol-ecules and two 2,6-di-methyl-pyrazine ligands, forming a discrete complex with a slightly distorted octa-hedral N4O2 coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-di-methyl-pyrazine solvate mol-ecules, all entities being completed by inversion symmetry, as well as one thio-cyanate anion, an aqua ligand and a 2,6-di-methyl-pyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-di-methyl-pyrazine mol-ecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-di-methyl-pyrazine ligands. The complex mol-ecules are linked by O-H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-di-methyl-pyrazine solvent mol-ecules, leading to a layered structure extending parallel to (100).
在标题化合物[Co(NCS)₂(C₆H₈N₂)₂(H₂O)₂]·3C₆H₈N₂的晶体结构中，Co(II)阳离子由两个末端N键合的硫氰酸根阴离子、两个水分子和两个2,6 - 二甲基吡嗪配体配位，形成一个具有轻微扭曲八面体N₄O₂配位环境的离散配合物。不对称单元包含一个Co(II)阳离子和三个半2,5 - 二甲基吡嗪溶剂分子，所有实体通过反演对称性完成，以及一个硫氰酸根阴离子、一个水配体和一个2,6 - 二甲基吡嗪配体，均处于一般位置。在晶体中，离散配合物以形成空穴的方式排列，非配位的2,5 - 二甲基吡嗪分子位于其中。由于与N原子相邻位置的庞大甲基基团，阻止了后者与金属的配位，导致通过2,6 - 二甲基吡嗪配体的优先配位。配合物分子通过水分子的H原子与2,5 - 二甲基吡嗪溶剂分子的N原子之间的O - H⋯N氢键相连，形成平行于(100)延伸的层状结构。
