Celik Fatih, Dilek Nefise, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer
Department of Chemistry, Kafkas University, 36100 Kars, Turkey.
Aksaray University, Department of Physics, 68100, Aksaray, Turkey.
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 25;70(Pt 2):m65-6. doi: 10.1107/S160053681400155X. eCollection 2014 Feb 1.
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].
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。