Polyanskii Kirill B, Alekseeva Kseniia A, Kumandin Pavel A, Atioğlu Zeliha, Akkurt Mehmet, Toze Flavien A A
Organic Chemistry Department, Faculty of Science, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation.
İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey.
Acta Crystallogr E Crystallogr Commun. 2019 Feb 8;75(Pt 3):342-345. doi: 10.1107/S2056989019001725. eCollection 2019 Mar 1.
The title compound, [RuCl(CHN)(CHN)], is an example of a new generation of ,-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry inter-mediate between square-based pyramidal and trigonal-bipyramidal. The complex shows the usual arrangement of the two chloride ligands, with Ru-Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl-Ru- Cl angle of 157.47 (3)°. The crystal structure features C-H⋯Cl, C-H⋯π and π-π stacking inter-actions. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in [Spek (2015). C, 9-18], which indicated a solvent cavity of volume 1096 Å containing approximately 419 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.
标题化合物[RuCl(CHN)(CHN)]是新一代具有N→Ru配位键的α,ω-二烷基金属络合物钌催化剂的一个例子，该配位键作为六元螯合环的一部分。Ru原子的Addison τ参数为0.234，这表明其几何形状介于四方锥和三角双锥之间。该络合物显示出两个氯配体的常见排列方式，Ru-Cl键长分别为2.3397 (8) 和2.3476 (8) Å，Cl-Ru-Cl角为157.47 (3)°。晶体结构具有C-H⋯Cl、C-H⋯π和π-π堆积相互作用。发现溶剂分子高度无序，使用[Spek (2015). C, 9-18]中的SQUEEZE程序消除了它们对散射的贡献，这表明溶剂腔的体积为1096 Å，包含约419个电子。在给定的化学式和其他晶体数据中未考虑这些溶剂分子。
