Cargando…
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) dichloride tetrahydrate
The crystal structure of the novel hydrated Cu(II) salt, [Cu(L)(H(2)O)(2)]Cl(2)·4H(2)O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane, C(22)H(44)N(4)) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(L)(H(2)O)(2)](2+) cation...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100274/ https://www.ncbi.nlm.nih.gov/pubmed/34026267 http://dx.doi.org/10.1107/S2056989021004382 |
Sumario: | The crystal structure of the novel hydrated Cu(II) salt, [Cu(L)(H(2)O)(2)]Cl(2)·4H(2)O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane, C(22)H(44)N(4)) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(L)(H(2)O)(2)](2+) cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable trans-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H⋯Cl hydrogen bonds, giving rise to a three-dimensional network structure. |
---|