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氯三(3,5-二甲基-1H-吡唑-κN)(甲酸根-κO)铜(II)-二氯双(3,5-二甲基-1H-吡唑-κN)铜(II)(2/1)

Chloridotris(3,5-dimethyl-1H-pyrazole-κN)(formato-κO)copper(II)-dichlorido-bis(3,5-dimethyl-1H-pyrazole-κN)copper(II) (2/1).

作者信息

Davydenko Yuliya M, Fritsky Igor O, Pavlenko Vadim O, Meyer Franc, Dechert Sebastian

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m732-3. doi: 10.1107/S1600536811016461. Epub 2011 May 7.

Abstract

The asymmetric unit of the title compound, Cu(CHO(2))Cl(C(5)H(8)N(2))(3)·[CuCl(2)(C(5)H(8)N(2))(2)] or 2[A]·[B], contains one A mol-ecule and one half-molecule of B, located on a centre of inversion. The Cu(II) environments in A and B are different. In A, the Cu(II) atom is coordinated by three N atoms from three 3,5-dimethyl-1H-pyrazole (L) ligands, one O atom from a formate ligand and a chloride anion in an axial position [Cu-Cl = 2.4275 (7) Å] in a distorted tetra-gonal-pyramidal geometry. The Cu(II) atom in B is coordinated by two N atoms from two L ligands and two chloride anions [Cu-Cl = 2.2524 (6) Å] in a distorted square-planar geometry. In the crystal, inter-molecular N-H⋯O hydrogen bonds link mol-ecules A into centrosymmetric dimers. Inter-molecular N-H⋯Cl hydrogen bonds further link these dimers with the B mol-ecules, forming chains propagating in [101].

摘要

标题化合物[Cu(CHO₂)Cl(C₅H₈N₂)₃]₂·[CuCl₂(C₅H₈N₂)₂]或2[A]·[B]的不对称单元包含一个A分子和半个B分子,B分子位于一个对称中心上。A和B中Cu(II)的配位环境不同。在A中,Cu(II)原子由来自三个3,5-二甲基-1H-吡唑(L)配体的三个N原子、来自一个甲酸根配体的一个O原子以及处于轴向位置的一个氯离子[Cu-Cl = 2.4275 (7) Å]配位,呈扭曲的四方锥几何构型。B中的Cu(II)原子由来自两个L配体的两个N原子和两个氯离子[Cu-Cl = 2.2524 (6) Å]配位,呈扭曲的平面正方形几何构型。在晶体中,分子间的N-H⋯O氢键将A分子连接成中心对称的二聚体。分子间的N-H⋯Cl氢键进一步将这些二聚体与B分子相连,形成沿[101]方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/14c9/3120383/ef29bd85e0f8/e-67-0m732-fig1.jpg

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