Reinoso Santiago, Artetxe Beñat, Castillo Oscar, Luque Antonio, Gutiérrez-Zorrilla Juan M
Departamento de Química Inorgánica, Facultad de Ciencia y Tecnología, Universidad de País Vasco UPV/EHU, PO Box 644, E-48080 Bilbao, Spain.
Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71(Pt 12):m232-3. doi: 10.1107/S2056989015021593. eCollection 2015 Dec 1.
In the title compound, [Cu(C4H3N2O2)2(H2O)2]·2H2O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa-hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl-ate ligands in a trans configuration. The axial positions are occupied by two water mol-ecules. The mononuclear complex mol-ecules are arranged in layers parallel to the ab plane. Each complex mol-ecule is linked to four adjacent species through inter-molecular O-H⋯O and N-H⋯O hydrogen bonds that are established between the coordinating water mol-ecules and carboxyl-ate O atoms or protonated N atoms of the organic ligands. These layers are further connected into a three-dimensional network by additional hydrogen bonds involving solvent water mol-ecules and non-coordinating carboxyl-ate O atoms.
在标题化合物[Cu(C₄H₃N₂O₂)₂(H₂O)₂]·2H₂O中,Cu(II)离子位于一个对称中心上,呈现出轴向拉长的八面体配位几何构型。赤道平面由两个呈反式构型的N,O-双齿1H-吡唑-3-羧酸酯配体构成。轴向位置由两个水分子占据。单核配合物分子排列成平行于ab平面的层。每个配合物分子通过分子间O-H⋯O和N-H⋯O氢键与四个相邻物种相连,这些氢键在配位水分子与有机配体的羧酸根O原子或质子化N原子之间形成。这些层通过涉及溶剂水分子和非配位羧酸根O原子的额外氢键进一步连接成三维网络。