Abstract
The title CuII macrocyclic complex salt tetra-hydrate, [Cu(C22H46N6O2)](C2H3O2)2·4H2O, sees the metal atom located on a centre of inversion and coordinated within a 4+2 (N4O2) tetra-gonally distorted coordination geometry; the N atoms are derived from the macrocycle and the O atoms from weakly associated [3.2048 (15) Å] acetate anions. Further stability to the three-ion aggregate is provided by intra-molecular amine-N-H⋯O(carboxyl-ate) hydrogen bonds. Hydrogen bonding is also prominent in the mol-ecular packing with amide-N-H⋯O(amide) inter-actions, leading to eight-membered {⋯HNCO}2 synthons, amide-N-H⋯O(water), water-O-H⋯O(carboxyl-ate) and water-O-H⋯O(water) hydrogen bonds featuring within the three-dimensional architecture. The calculated Hirshfeld surfaces for the individual components of the asymmetric unit differentiate the water mol-ecules owing to their distinctive supra-molecular association. For each of the anion and cation, H⋯H contacts predominate (50.7 and 65.2%, respectively) followed by H⋯O/O⋯H contacts (44.5 and 29.9%, respectively).
Highlights
Sabina Yasmin,a Saswata Rabi,b Avijit Chakraborty,a Huey Chong Kwong,c Edward R
The title CuII macrocyclic complex salt tetrahydrate, [Cu(C22H46N6O2)](C2H3O2)2Á4H2O, sees the metal atom located on a centre of inversion and coordinated within a 4 + 2 (N4O2) tetragonally distorted coordination geometry; the N atoms are derived from the macrocycle and the O atoms from weakly associated [3.2048 (15) A ] acetate anions
Hydrogen bonding is prominent in the molecular packing with amide-N—HÁ Á ÁO(amide) interactions, leading to eightmembered {Á Á ÁHNCO}2 synthons, amide-N—HÁ Á ÁO(water), water-O— HÁ Á ÁO(carboxylate) and water-O—HÁ Á ÁO(water) hydrogen bonds featuring within the three-dimensional architecture
Summary
Owing to the multifarious applications of different metal complexes of a wide variety of macrocyclic ligands (Ali et al, 2019; Bernhardt & Sharpe, 2000; Lamani et al, 2018; Vicente et al, 2003; Xu et al, 2020), studies on some N-pendent macrocyclic ligands and their metal complexes were described by us recently (Dey, Rabi, Hazari et al, 2021; Dey, Rabi, Palit et al, 2021). In a continuation of this work, a new N-pendent carbamoyl-derived macrocyclic ligand, ‘tet-am’, C22H46N6O2, prepared from ‘tet-a0 (an isomeric ligand of the hexamethyl tetrazamacrocyclic ligand) and acrylamide has been synthesized, by employing the procedure described for the preparation of a related N-pendent ligand (Dey, Rabi, Hazari et al, 2021). Thereafter, the interaction of the new ‘tet-am’ ligand with copper(II) acetate monohydrate furnished violet crystals formulated as [Cu(tet-am)](O2CCH3)2Á4H2O, hereafter (I). Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz þ 1; (ii) Àx þ 12; y þ 12; Àz þ 32; (iii) Àx þ 1; Ày þ 2; Àz þ 1; (iv) x þ 12; Ày þ 12; z þ 12; (v) Àx þ 12; y À 12; Àz þ 12
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