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氯代水合{6,6'-二叔丁基-2,2'-[1,2-亚苯基双(次氮基甲基亚基)]二酚根合-κO,N,N',O'}-锰(III)-氯代{6,6'-二叔丁基-2,2'-[1,2-亚苯基双(次氮基甲基亚基)]二酚根合-κO,N,N',O'}(甲醇-κO)锰(III) (1/1)

The cocrystal aqua-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}-manganese(III)-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-κO,N,N',O'}(methanol-κO)manganese(III) (1/1).

作者信息

Eltayeb Naser Eltaher, Teoh Siang Guan, Chantrapromma Suchada, Fun Hoong-Kun, Adnan Rohana

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 4;64(Pt 5):m626-7. doi: 10.1107/S1600536808006818.

Abstract

The asymmetric unit of the title complex, [Mn(C(28)H(30)N(2)O(2))Cl(H(2)O)][Mn(C(28)H(30)N(2)O(2))Cl(CH(3)OH)], contains two discrete Mn(III) complexes of a Schiff base ligand, with an N(2)O(2) donor set. Both Mn(III) centers are in a distorted octa-hedral geometry with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianion in the equatorial plane. The axial positions in the coordination environment of one Mn(III) complex are occupied by a chloride ion and a water mol-ecule, but a methanol mol-ecule replaces the water mol-ecule in the other complex. The coordinated water mol-ecule takes part in an O-H⋯Cl hydrogen bond between the two Mn(III) complexes. In the crystal structure, O-H⋯Cl hydrogen bonds link the mol-ecules into infinite one-dimensional chains along the [100] direction. The crystal structure is stabilized by O-H⋯Cl hydrogen bonds together with weak C-H⋯O and C-H⋯Cl inter-actions. A C-H⋯π inter-action is also observed in the crystal structure.

摘要

标题配合物[Mn(C₂₈H₃₀N₂O₂)Cl(H₂O)][Mn(C₂₈H₃₀N₂O₂)Cl(CH₃OH)]的不对称单元包含两个离散的席夫碱配体的Mn(III)配合物,具有N₂O₂供体集。两个Mn(III)中心均处于扭曲的八面体几何构型,四齿席夫碱二价阴离子的N₂O₂供体原子位于赤道平面。一个Mn(III)配合物配位环境中的轴向位置被一个氯离子和一个水分子占据,但在另一个配合物中一个甲醇分子取代了水分子。配位水分子参与了两个Mn(III)配合物之间的O—H⋯Cl氢键。在晶体结构中,O—H⋯Cl氢键将分子沿[100]方向连接成无限的一维链。晶体结构通过O—H⋯Cl氢键以及弱的C—H⋯O和C—H⋯Cl相互作用得以稳定。在晶体结构中还观察到一个C—H⋯π相互作用。

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