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一种具有源自香草醛和氨的席夫碱配体的双核铜/钙硫氰酸盐配合物。

A binuclear Cu/Ca thio-cyanate complex with a Schiff base ligand derived from -vanillin and ammonia.

作者信息

Plyuta Nataliya, Vassilyeva Olga Yu, Kokozay Vladimir N, Omelchenko Iryna, Petrusenko Svitlana

机构信息

Department of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, Ukraine.

Laboratoire MOLTECH-Anjou UMR 6200, UFR Sciences, CNRS, Université d'Angers, Bat. K, 2 Bd. Lavoisier, 49045 Angers, France.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Feb 21;76(Pt 3):423-426. doi: 10.1107/S205698902000211X. eCollection 2020 Mar 1.

Abstract

The new heterometallic complex, aqua-1κ-bis-(μ-2-imino-methyl-6-meth-oxy-phenolato-1κ , :2κ ,)bis-(thio-cyanato-1κ)calcium(II)copper(II), [CaCu(CHNO)(NCS)(HO)], has been synthesized using a one-pot reaction of copper powder, calcium oxide, -vanillin and ammonium thio-cyanate in methanol under ambient conditions. The Schiff base ligand (CHNO) is generated from the condensation of -vanillin and ammonia, which is released from the initial NHSCN. The title compound consists of a discrete binuclear mol-ecule with a {Cu(μ-O)Ca} core, in which the Cu⋯Ca distance is 3.4275 (6) Å. The coordination geometries of the four-coordinate copper atom in the [CuNO] chromophore and the seven-coordinate calcium atom in the [CaON] chromophore can be described as distorted square planar and penta-gonal bipyramidal, respectively. In the crystal, O-H⋯S hydrogen bonds between the coordinating water mol-ecules and thio-cyanate groups form a supra-molecular chain with a zigzag-shaped calcium skeleton.

摘要

新型异金属配合物,水合 - 1κ - 双 -(μ - 2 - 亚氨基甲基 - 6 - 甲氧基苯酚根 - 1κ , :2κ ,)双 -(硫氰酸根 - 1κ)钙(II)铜(II),[CaCu(CHNO)(NCS)(HO)],是在环境条件下,通过铜粉、氧化钙、香草醛和硫氰酸铵在甲醇中的一锅反应合成的。席夫碱配体(CHNO)由香草醛与最初的NHSCN释放出的氨缩合生成。标题化合物由一个具有{Cu(μ - O)Ca}核心的离散双核分子组成,其中Cu⋯Ca距离为3.4275 (6) Å。[CuNO]发色团中四配位铜原子和[CaON]发色团中七配位钙原子的配位几何形状可分别描述为扭曲的平面正方形和五角双锥。在晶体中,配位水分子与硫氰酸根基团之间的O - H⋯S氢键形成了具有锯齿形钙骨架的超分子链。

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