Yang Huai-Xia, Zhang Jun, Zhao Dong
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m602. doi: 10.1107/S1600536811013511. Epub 2011 Apr 16.
The title complex, tetra-aqua-{1-[(1H-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole-κN(4)}(sulfato-κO)copper(II) sesquihydrate, [Cu(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·1.5H(2)O, is composed of one copper atom, one 1-[(2H-benzotriazol-1-yl)meth-yl]-1-H-1,2,4-triazole (bmt) ligand, one sulfate ligand, four coordin-ated water mol-ecules and one and a half uncoordinated water mol-ecules. The Cu(II) atom is six-coordinated by one N atom from a bmt ligand and five O atoms from the monodentate sulfate ligand and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, adjacent mol-ecules are linked through O-H⋯O and O-H⋯N hydrogen bonds involving the sulfate anion and the coordin-ated and uncoordinated water mol-ecules into a three-dimensional network.
标题配合物，四水合-{1-[(1H-苯并三唑-1-基)甲基]-1H-1,2,4-三唑-κN(4)}(硫酸根-κO)铜(II)半水合物，[Cu(SO₄)(C₉H₈N₆)(H₂O)₄]·1.5H₂O，由一个铜原子、一个1-[(2H-苯并三唑-1-基)甲基]-1-H-1,2,4-三唑（bmt）配体、一个硫酸根配体、四个配位水分子和一个半非配位水分子组成。Cu(II)原子由来自bmt配体的一个N原子、来自单齿硫酸根配体的五个O原子以及四个水分子以扭曲的八面体几何构型进行六配位。在晶体中，相邻分子通过涉及硫酸根阴离子以及配位和非配位水分子的O-H⋯O和O-H⋯N氢键连接成三维网络。
