Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands

被引:0
|
作者
Qadir, Adnan [1 ]
机构
[1] Salahaddin Univ, Dept Chem, Coll Sci, Erbil 44001, Iraq
关键词
crystal structure; coordination compound; Hirshfeld surface analysis; 3-methylbenzoate;
D O I
10.1107/S2056989023006904
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
3-Methylbenzoic acid (3-mbH) and 2,2'-bipyridine (bipy) reacted with a copper(II) salt forming a new mixed ligand complex, aqua(2,2'-bipyridine-kappa N-2,N')bis(3-methylbenzoato)-kappa O-2,O';kappa O-copper(II) 0.68-hydrate, [Cu(C8H7O2)(2)(C10H8N2)(H2O)]center dot 0.68H(2)O or [Cu(3-mb)(2)(bipy)(H2O)]center dot 0.68H(2)O. The coordination environment of Cu-II is a distorted octahedron. The metal atom is attached to two 3-mb moieties, which bind in monodentate and bidentate fashions. One of the 3-mb units is disordered. The coordination environment is completed by one bipy ligand and a water molecule. A second water molecule is outside the coordination sphere of the Cu-II atom and its occupancy refined to 0.68. The structure consists of chains along the b-axis direction formed by complex units joined via hydrogen bonds between the coordinated water molecule and an O atom of a coordinated 3-mb unit. Hirshfeld surface analysis indicates that the most abundant contacts are H center dot center dot center dot H (56.8%), H center dot center dot center dot C/C center dot center dot center dot H (21.7%) and H center dot center dot center dot O/O center dot center dot center dot H (13.7%).
引用
收藏
页码:804 / +
页数:12
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