含有短NO⋯NO接触的六-μ-氯-μ-氧代-四-双-{[1-(2-羟乙基)-2-甲基-5-硝基-1-咪唑-κ]铜(II)}的晶体结构
Crystal structure of hexa-μ-chlorido-μ-oxido-tetra-kis-{[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1-imidazole-κ ]copper(II)} containing short NO⋯NO contacts.
作者信息
Wu Ja-Shin, Shlian Daniel G, Palmer Joshua H, Upmacis Rita K
机构信息
Department of Chemistry & Physical Sciences, Pace University, New York, NY 10038, USA.
Department of Chemistry, Columbia University, New York, NY 10027, USA.
出版信息
Acta Crystallogr E Crystallogr Commun. 2019 Jun 25;75(Pt 7):1057-1060. doi: 10.1107/S2056989019008570. eCollection 2019 Jul 1.
The title tetra-nuclear copper complex, [CuClO(CHNO)] or [CuClO-(MET)] [MET is 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1-imidazole or metronidazole], contains a tetra-hedral arrangement of copper(II) ions. Each copper atom is also linked to the other three copper atoms in the tetra-hedron bridging chloride ions. A fifth coordination position on each metal atom is occupied by a nitro-gen atom of the monodentate MET ligand. The result is a distorted CuClNO trigonal-bipyramidal coordination polyhedron with the axial positions occupied by oxygen and nitro-gen atoms. The extended structure displays O-H⋯O hydrogen bonding, as well as unusual short O⋯N inter-actions [2.775 (4) Å] between the nitro groups of adjacent clusters that are oriented perpendicular to each other. The scattering contribution of disordered water and methanol solvent mol-ecules was removed using the SQUEEZE procedure [Spek (2015 ▸). . C, 9-16] in [Spek (2009 ▸). D, 148-155].
标题为四核铜配合物，[CuClO(CHNO)] 或 [CuClO-(MET)] [MET 为 1-(2-羟乙基)-2-甲基-5-硝基-1-咪唑或甲硝唑]，包含铜 (II) 离子的四面体排列。每个铜原子还通过桥连氯离子与四面体中的其他三个铜原子相连。每个金属原子的第五个配位位置由单齿 MET 配体的一个氮原子占据。结果是形成了一个扭曲的 CuClNO 三角双锥配位多面体，轴向位置由氧原子和氮原子占据。扩展结构显示出 O-H⋯O 氢键，以及相邻簇的硝基之间不寻常的短 O⋯N 相互作用 [2.775 (4) Å]，这些硝基相互垂直排列。使用 [Spek (2015 ▸). . C, 9-16] 中的 SQUEEZE 程序 [Spek (2009 ▸). D, 148-155] 去除了无序水和甲醇溶剂分子的散射贡献。
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