Starosta Wojciech, Leciejewicz Janusz
Institute of Nuclear Chemistry and Technology, ul.Dorodna 16, 03-195 Warszawa, Poland.
Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 23;69(Pt 9):m515-6. doi: 10.1107/S1600536813023167. eCollection 2013.
The crystal structure of the title compound, [Li2(C4H2N3O4)2(H2O)4], contains centrosymmetric dinuclear mol-ecules in which two Li(I) ions are bridged by two water O atoms. The metal ion is coordinated by one N,O-bidentate ligand and three water O atoms (one of them is symmetry generated), with one of the bridging water O atoms in the apical position of a distorted square pyramid. The carboxyl-ate group that participates in coordination to the metal ion remains protonated; the other is deprotonated and coordination inactive. An intra-molecular O-H⋯O hydrogen bond between carboxyl-ate groups is observed. In the crystal, dimers are linked by O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, generating a three-dimensional network.
标题化合物[Li₂(C₄H₂N₃O₄)₂(H₂O)₄]的晶体结构包含中心对称的双核分子，其中两个Li(I)离子由两个水分子的O原子桥连。金属离子由一个N,O-双齿配体和三个水分子的O原子（其中一个是通过对称操作产生的）配位，其中一个桥连水分子的O原子处于扭曲四方锥的顶端位置。参与与金属离子配位的羧酸根基团保持质子化状态；另一个则去质子化且不参与配位。观察到羧酸根基团之间存在分子内O-H⋯O氢键。在晶体中，二聚体通过O-H⋯O、O-H⋯N和N-H⋯O氢键相连，形成三维网络结构。
