mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate

IUCrData Pub Date : 2024-04-01 DOI:10.1107/S2414314624003390

Raudhatul Nadhirah Awang Adam , Natasha Ann Keasberry , Malai Haniti Sheikh Abdul Hamid , S. Bernès (Editor)

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Abstract

The title complex exhibits a distorted octahedral geometry about the metal centre, which coordinates two tridentate ligands that are perpendicular to each other.

In the title compound, [Ni(C₁₃H₁₃N₄S)₂]·0.33CH₃OH·0.67H₂O, the Ni^II atom is coordinated by two tridentate quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonate ligands in a distorted octahedral shape. At 100 K, the crystal symmetry is monoclinic (space group P2₁/n). A mixture of water and methanol crystallizes with the title complex, and one of the ethyl groups in the coordinating ligands is disordered over two positions, with an occupancy ratio of 58:42. There is intermolecular hydrogen bonding between the solvent molecules and the amine and thiolate groups in the ligands. No other significant interactions are present in the crystal packing.

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Mer-Bis(quinoline-2-carboxaldehyde 4-ethyl-thio-semicarbazonato)nickel(II) methanol 0.33-溶液 0.67-水合物。

在标题化合物[Ni(C13H13N4S)2]-0.33CH3OH-0.67H2O 中，NiII 原子由两个三叉喹啉-2-甲醛 4-乙硫半碳氮配体配位，呈扭曲的八面体形状。在 100 K 时，晶体对称性为单斜（空间群 P21/n）。水和甲醇的混合物与标题复合物一起结晶，配位配体中的一个乙基在两个位置上无序排列，占据比为 58:42。溶剂分子与配位体中的胺和硫代酸酯基团之间存在分子间氢键作用。晶体结构中没有其他重要的相互作用。

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