Mishima Akio, Fuyuhiro Akira, Kumagai Hitoshi, Kawata Satoshi
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):m1523-4. doi: 10.1107/S1600536811038700. Epub 2011 Oct 12.
The title compound, [Cu(2)(C(13)H(9)N(4))(2)(HSO(4))(2)]·2CH(3)OH, consists of discrete centrosymmetric dinuclear complex mol-ecules and methanol solvent mol-ecules. The Cu(II) atom shows a square-pyramidal coordination geometry and is bonded to four N atoms of the two bis-chelating 3,5-bis-(2-pyrid-yl)pyrazol-ate ions (bpypz(-)) and one O atom of the hydrogensulfate ion. The bpypz(-) ligands in the complex mol-ecule are virtually coplanar [dihedral angle between the mean ligand planes = 0.000(1)°] with the Cu(II) atom deviating in opposite directions from their best plane by 0.2080 (12) Å. π-π stacking inter-actions between the pyridyl and pyrazole rings [centroid-centroid distance = 3.391 (3) Å] and strong O-H⋯O hydrogen bonds between the hydrogensulfate ligands and the methanol mol-ecules assemble the mol-ecules into a one-dimensional polymeric structure extending along the a axis. The methanol mol-ecule acts both as an accepter and a donor in the hydrogen bonding.
标题化合物[Cu₂(C₁₃H₉N₄)₂(HSO₄)₂]·2CH₃OH由离散的中心对称双核络合物分子和甲醇溶剂分子组成。Cu(II)原子呈现出四方锥配位几何构型,与两个双螯合的3,5-双(2-吡啶基)吡唑酸盐离子(bpypz⁻)的四个N原子以及硫酸氢根离子的一个O原子键合。络合物分子中的bpypz⁻配体实际上是共面的[平均配体平面之间的二面角 = 0.000(1)°],Cu(II)原子从它们的最佳平面向相反方向偏离0.2080 (12) Å。吡啶基和吡唑环之间的π-π堆积相互作用[质心-质心距离 = 3.391 (3) Å]以及硫酸氢根配体与甲醇分子之间的强O-H⋯O氢键将分子组装成沿a轴延伸的一维聚合结构。甲醇分子在氢键中既作为受体又作为供体。