Shi Fei-Fei, He Xiu-Li
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m607. doi: 10.1107/S1600536811012852. Epub 2011 Apr 16.
There are two formula units (Z' = 2) in the asymmmetric unit of the title compound, [CuBr(C(16)H(32)N(4))]Br·2H(2)O. The title crystal consists of two Cu(C(16)H(32)N(4)) cations, two Br(-) anions and four uncoordinated water mol-ecules. The metal atom is five-coordinate square pyramidal, with a long apical Cu-Br bond [2.9734 (11) and 2.9229 (11) Å in the two cations]. The two cations form a loosely associated dimer through the formation of hydrogen bonds between both N-H and O-H and Br(-). In addition, there is a network of N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds, leading to the formation of a chain structure.
标题化合物[CuBr(C₁₆H₃₂N₄)]Br·2H₂O的不对称单元中有两个化学式单元（Z' = 2）。该标题晶体由两个[Cu(C₁₆H₃₂N₄)]²⁺阳离子、两个Br⁻阴离子和四个未配位的水分子组成。金属原子为五配位的四方锥构型，有一条较长的顶端Cu - Br键[在两个阳离子中分别为2.9734 (11) Å和2.9229 (11) Å]。两个阳离子通过N - H和O - H与Br⁻之间形成氢键形成一个松散关联的二聚体。此外，存在一个由N - H⋯Br、O - H⋯Br和N - H⋯O氢键构成的网络，导致形成链状结构。
