Wang Jun, Tao Jian Qing, Xu Xiao Juan
Department of Chemistry, Yancheng Teachers' College, Yancheng 224002, People's Republic of China.
Acta Crystallogr C. 2011 Jun;67(Pt 6):m173-5. doi: 10.1107/S0108270111016507. Epub 2011 May 12.
The title compound, Cd(C(10)H(8)O(4))(C(8)H(12)N(6)), crystallizes with an asymmetric unit comprising a divalent Cd(II) atom, a benzene-1,4-diacetate (PBEA(2-)) ligand and a complete 1,4-bis(1,2,4-triazol-1-yl)butane (BTB) ligand. Cd(PBEA) double chains, arranged parallel to the c axis, are formed through an exo-tridentate binding mode of the PBEA(2-) ligands. These Cd(PBEA) double chains are pillared by tethering BTB ligands, in which the BTB shows a trans-trans-trans conformation, to establish Cd(PBEA)(BTB) two-dimensional coordination polymer (4,4)-layer slab patterns. The three-dimensional supramolecular architecture is formed by C-H···O hydrogen bonds and C-H···π interactions.
标题化合物[Cd(C₁₀H₈O₄)(C₈H₁₂N₆)]ₙ结晶,其不对称单元包含一个二价Cd(II)原子、一个苯-1,4-二乙酸根(PBEA²⁻)配体和一个完整的1,4-双(1,2,4-三唑-1-基)丁烷(BTB)配体。[Cd(PBEA)]ₙ双链平行于c轴排列,通过PBEA²⁻配体的外三齿配位模式形成。这些[Cd(PBEA)]ₙ双链由呈反式-反式-反式构象的BTB配体连接支撑,形成[Cd(PBEA)(BTB)]ₙ二维配位聚合物(4,4)-层板结构。三维超分子结构由C-H···O氢键和C-H···π相互作用形成。