Bentiss Fouad, Capet Frédéric, Lagrenée Michel, Saadi Mohamed, El Ammari Lahcen
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1052-3. doi: 10.1107/S1600536811026420. Epub 2011 Jul 9.
The bidentate 1,3,4-thia-diazole ligand, namely, 2,5-bis-(2-pyrid-yl)-1,3,4-thia-diazole (denoted L), untested as a polydentate ligand, has been found to form the monomeric title complex, Ni(C(12)H(8)N(4)S)(2)(H(2)O)(2)(2). The complex shows an octa-hedral environment of the nickel cation in which the Ni(2+) ion is located on a center of symmetry, linked to two ligands and two water molecules. In this 1:2 complex (one metal for two organic ligands) each thia-diazole ligand uses one pyridyl and one thia-diazole N atom for chelate binding. In the second pyridyl substituent, the N atom is oriented towards the same direction as the S atom of the 1,3,4-thiadiazole ring. The mean plane of the thia-diazole and pyridyl rings linked to the nickel cation forms a dihedral angle with the other pyridine ring of 18.63 (8)°. The tetra-fluorido-borate ions can be regarded as free anions in the crystal lattice. Nevertheless, they are involved in an infinite two-dimensional network parallel to ([Formula: see text]01) through O-H⋯F hydrogen bonds.
双齿1,3,4-噻二唑配体，即2,5-双（2-吡啶基）-1,3,4-噻二唑（表示为L），作为多齿配体未经测试，已被发现形成单体标题配合物Ni(C₁₂H₈N₄S)₂(H₂O)₂₂。该配合物显示出镍阳离子的八面体环境，其中Ni²⁺离子位于对称中心，与两个配体和两个水分子相连。在这个1:2配合物（一个金属对应两个有机配体）中，每个噻二唑配体使用一个吡啶基和一个噻二唑N原子进行螯合配位。在第二个吡啶基取代基中，N原子的取向与1,3,4-噻二唑环的S原子方向相同。与镍阳离子相连的噻二唑环和吡啶环的平均平面与另一个吡啶环形成的二面角为18.63 (8)°。四氟硼酸根离子在晶格中可视为自由阴离子。然而，它们通过O—H⋯F氢键参与了一个平行于（[化学式：见原文]01）的无限二维网络。
