Dai Jing
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. 2009 May 20;65(Pt 6):m661. doi: 10.1107/S160053680901808X.
In the title compound, Cu(C(11)H(13)N(3))(2)(2)·2H(2)O, synthesized by hydro-thermal reaction of Cu(NO(3))(2) and racemic 2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole, the Cu(II) atom lies on an inversion centre. The distorted octa-hedral Cu(II) environment contains two planar trans-related N,N-chelating 2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole ligands in the equatorial plane and two monodentate nitrate anions, which are in weak inter-action with the Cu atom, in the axial positions. The two benzimidazole ligands have opposite configurations (R/S and S/R) and compound is a meso complex. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds generate an infinite three-dimensional network. One methylene group of the pyrrolidine ring is disordered over two position with a 0.56 (3):0.44 (3) occupancy.
在标题化合物Cu(C₁₁H₁₃N₃)₂₂·2H₂O中，通过硝酸铜与外消旋2-(吡咯烷-2-基)-1H-1,3-苯并咪唑的水热反应合成，铜(II)原子位于一个对称中心上。扭曲的八面体铜(II)环境在赤道平面包含两个平面内反式相关的N,N-螯合2-(吡咯烷-2-基)-1H-1,3-苯并咪唑配体，在轴向位置有两个与铜原子存在弱相互作用的单齿硝酸根阴离子。两个苯并咪唑配体具有相反的构型(R/S和S/R)，该化合物是一种内消旋配合物。在晶体中，N-H⋯O和O-H⋯O氢键形成一个无限的三维网络。吡咯烷环的一个亚甲基在两个位置上无序分布，占有率为0.56 (3):0.44 (3)。
