一水合双（2-甲基-4-氧代吡啶并[1,2-a]嘧啶-9-醇根）锌（II）
Aqua-bis(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olato)zinc(II) monohydrate.
作者信息
Wei Yu-Feng, Li Zhong-Shu, Zhang Huai-Hong, Wang Yi-Hong
机构信息
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):m91. doi: 10.1107/S1600536808039615.
The crystal structure of the title compound, [Zn(C(9)H(7)N(2)O(2))(2)(H(2)O)]·H(2)O, involves discrete mononuclear complex mol-ecules. The special positions on the rotation twofold axis are occupied by Zn(II) and O atoms of the coordinated and uncoordinated water mol-ecules. The coordination around the Zn(II) atom can be described as transitional from trigonal-bipyramidal to square-pyramidal. The two chelating 2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-olate ligands and the coordin-ated water mol-ecule form the Zn coordination. O-H⋯O hydrogen bonds between the coordinated water mol-ecule and the ligand and between the uncoordinated water mol-ecule and the ligand dominate the crystal packing.
标题化合物[Zn(C₉H₇N₂O₂)₂(H₂O)]·H₂O的晶体结构包含离散的单核配合物分子。旋转二重轴上的特殊位置被配位水分子和未配位水分子的Zn(II)原子及O原子占据。Zn(II)原子周围的配位情况可描述为从三角双锥向四方锥过渡。两个螯合的2-甲基-4-氧代吡啶并[1,2-a]嘧啶-9-醇配体和配位水分子形成了Zn的配位环境。配位水分子与配体之间以及未配位水分子与配体之间的O—H⋯O氢键主导了晶体堆积。
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