[4-(2-Aminoethyl)morpholine-κ2N,N']dibromido-cadmium(II): synthesis, crystal structure and Hirshfeld surface analysis

被引:0
作者
Chidambaranathan, B. [1 ]
Sivaraj, S. [1 ]
Vijayamathubalan, P. [1 ]
Rajasekar, S. Abraham [2 ]
Selvakumar, S. [1 ]
机构
[1] Govt Arts Coll Men Autonomous, PG & Res Dept Phys, Chennai 600035, Tamil Nadu, India
[2] Sir Theagaraya Coll, Dept Phys, Chennai 600021, Tamil Nadu, India
关键词
crystal structure; morpholine ligand; Hirshfeld surface analysis; FTIR; NMR; QUANTITATIVE-ANALYSIS; METAL-IONS; INTERMOLECULAR INTERACTIONS; GRAPH-SET; COMPLEXES; NICKEL(II); LIGANDS; SERIES;
D O I
10.1107/S2056989024000963
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N'-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O center dot center dot center dot Cd interactions link the dimers into a polymeric double chain and intermolecular C-H center dot center dot center dot O hydrogen bonds form R-2(2)(6) ring motifs. Further C-H center dot center dot center dot Br and N-H center dot center dot center dot Br hydrogen bonds link the components into a three-dimensional network. As the N-H center dot center dot center dot Br hydrogen bonds are shorter than the C-H center dot center dot center dot Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H center dot center dot center dot H (46.1%) and Br center dot center dot center dot H/H center dot center dot center dot Br (38.9%) interactions with smaller contributions from the O center dot center dot center dot H/H center dot center dot center dot O (4.7%), Br center dot center dot center dot Cd/Cd center dot center dot center dot Br (4.4%), O center dot center dot center dot Cd/Cd center dot center dot center dot O (3.5%), Br center dot center dot center dot Br (1.1%), Cd center dot center dot center dot H/H center dot center dot center dot Cd (0.9%), Br center dot center dot center dot O/O center dot center dot center dot Br (0.3%) and O center dot center dot center dot N/N center dot center dot center dot O (0.1%) contacts.
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页码:271 / +
页数:10
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