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链状聚[[二水合双-(4-甲酰基苯甲酸根-κO(1))镍(II)]-μ-吡嗪-κ(2)N:N']

catena-Poly[[di-aqua-bis-(4-formyl-benzo-ato-κO (1))nickel(II)]-μ-pyrazine-κ(2) N:N'].

作者信息

Celik Fatih, Dilek Nefise, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer

机构信息

Department of Chemistry, Kafkas University, 36100 Kars, Turkey.

Aksaray University, Department of Physics, 68100, Aksaray, Turkey.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 25;70(Pt 2):m65-6. doi: 10.1107/S160053681400155X. eCollection 2014 Feb 1.

Abstract

In the title polymeric compound, [Ni(C8H5O3)2(C4H4N2)(H2O)2] n , the Ni(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl-ate O atoms of two symmetry-related monodentate formyl-benzoate anions and by two N atoms of the bridging pyrazine ligand, which is bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules. In the formyl-benzoate anion, the carboxyl-ate group is twisted away from the attached benzene ring by 7.0 (6)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 66.2 (3)°. The pyrazine ligands bridge the Ni(II) cations, forming polymeric chains running along the b-axis direction. Intra-molecular O-H⋯O hydrogen bonds link the water ligands to the carboxyl-ate O atoms. In the crystal, water-water O-H⋯O hydrogen bonds link adjacent chains into layers parallel to the bc plane. Pyrazine-formyl C-H⋯O hydrogen bonds link the layers, forming a three-dimensional network. There are also weak C-H⋯π inter-actions present. The title compound is isotypic with the copper(II) complex [Çelik et al. (2014a). Acta Cryst. E70, m4-m5].

摘要

在标题聚合物化合物[Ni(C₈H₅O₃)₂(C₄H₄N₂)(H₂O)₂]ₙ中,Ni(II)原子位于二重旋转轴上,具有略微扭曲的八面体配位环境。在赤道平面上,它由两个对称相关的单齿甲酰基苯甲酸根阴离子的两个羧酸根O原子以及桥连吡嗪配体的两个N原子配位,该吡嗪配体被二重旋转轴平分。轴向位置由配位水分子的两个O原子占据。在甲酰基苯甲酸根阴离子中,羧酸根基团与相连的苯环扭转了7.0(6)°,而苯环和吡嗪环的二面角为66.2(3)°。吡嗪配体桥连Ni(II)阳离子,形成沿b轴方向延伸的聚合物链。分子内O—H⋯O氢键将水配体与羧酸根O原子相连。在晶体中,水-水O—H⋯O氢键将相邻链连接成平行于bc平面的层。吡嗪-甲酰基C—H⋯O氢键连接这些层,形成三维网络。还存在弱的C—H⋯π相互作用。标题化合物与铜(II)配合物[Çelik等人(2014a)。Acta Cryst. E70, m4 - m5]同晶型。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e692/3998267/f4e77c6537ac/e-70-00m65-fig1.jpg

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