Kant Rajni, Gupta Vivek K, Kapoor Kamini, Shripanavar Chetan S, Banerjee Kaushik, Deshmukh Madhukar B
X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m891-2. doi: 10.1107/S1600536812025007. Epub 2012 Jun 13.
In the title compound, Na(C₁₁H₁₁ClN₃O₃)(H₂O), there are two independent Na(I) ions, one of which lies on an inversion center and is coordinated in a slightly distorted octa-hedral environment. The other Na(I) ion lies on a twofold rotation axis and is cooordinated in a slightly distorted trigonal-bipyramidal coordination environment. In the organic ligand, the imidazolidine ring adopts a half-chair conformation. The Na(I) ions bridge organic ligands and water mol-ecules, forming a two-dimensional structure parallel to (100). There are inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds within the two-dimensional structure.
在标题化合物[Na(C₁₁H₁₁ClN₃O₃)(H₂O)]ₙ中，存在两个独立的Na(I)离子，其中一个位于对称中心，在略微扭曲的八面体环境中配位。另一个Na(I)离子位于二重旋转轴上，在略微扭曲的三角双锥配位环境中配位。在有机配体中，咪唑烷环呈半椅构象。Na(I)离子连接有机配体和水分子，形成平行于(100)的二维结构。在二维结构内存在分子间O-H⋯O和弱C-H⋯O氢键。
