Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2N,O1](1,10-phenanthroline-κ2N,N′)ruthenium(III) hexafluoridophosphate

IUCrData Pub Date : 2024-09-01 DOI:10.1107/S2414314624008939

Monsuru T. Kelani , Alfred Muller , Koop Lammertsma

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Abstract

The title compound is an example for a chiral-at-metal complex, with the Ru^III atom having an octahedral coordination environment by three bidentate ligands.

The title compound, [Ru(C₁₂H₁₄NO₂)₂(C₁₂H₈N₂)]PF₆ crystallizes in the tetragonal Sohnke space group P4₁2₁2. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central Ru^III atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octahedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF₆⁻ counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F interactions.

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Δ-双[(S)-2-(4-异丙基-4,5-二氢-恶唑-2-基)苯酚基-κ2 N,O 1](1,10-菲罗啉-κ2 N,N')六氟磷酸钌(III)。

标题化合物[Ru(C12H14NO2)2(C12H8N2)]PF6 在 P41212 四元索恩科空间群中结晶。两个二价手性水杨酰噁唑啉配体和菲罗啉共配体通过 N、O 和 N、N 原子对与中心 RuIII 原子配位，分别形成 89.76 (15) 和 79.0 (2) ° 的咬合角。双齿配体的八面体配位形成了类似螺旋桨的形状，从而使配合物具有以金属为中心的手性，绝对构型为右旋（Δ）[Flack 参数值为 -0.003 (14)]。复合物阳离子和无序的 PF6 - 对阴离子都位于两倍旋转轴上。除了库仑力之外，非典型的 C-H⋯O 和 C-H⋯F 相互作用也确保了晶体的内聚力。

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