Li Jun-Hua, Nie Jing-Jing, Xu Duan-Jun
Department of Chemistry, Zhejiang University, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 21;64(Pt 7):m948-9. doi: 10.1107/S1600536808018515.
In the title compound, {[Cu(C(12)H(6)O(4))(C(3)H(4)N(2))(2)(H(2)O)]·2H(2)O}(n), the Cu(II) cation is coordinated by two naphthalene-1,4-dicarboxyl-ate (naph) dianions, two imidazole mol-ecules and one water mol-ecule in a distorted square-pyramidal geometry. The Cu-O bond distance in the apical direction is 0.509 (3) Å longer than the mean Cu-O bond distance in the basal plane. The naph dianion bridges two Cu(II) cations, forming a one-dimensional polymeric chain. The coordinated water mol-ecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supra-molecular structure. No π-π stacking is observed in the crystal structure. One solvent water molecule is disordered equally over two positions.
在标题化合物{[Cu(C₁₂H₆O₄)(C₃H₄N₂)₂(H₂O)]·2H₂O}ₙ中,Cu(II)阳离子由两个萘-1,4-二羧酸根(萘)二价阴离子、两个咪唑分子和一个水分子以扭曲的四方锥几何构型配位。顶端方向的Cu-O键长比基面中的平均Cu-O键长长0.509 (3) Å。萘二价阴离子桥连两个Cu(II)阳离子,形成一维聚合物链。配位水分子与相邻聚合物链的羧酸根基团和咪唑配体形成氢键,形成三维超分子结构。在晶体结构中未观察到π-π堆积。一个溶剂水分子在两个位置上无序分布且占有率相等。