The title copper complex, [Cu(H2P2O 7)(C15H11N3)]2·4. 5H2O, consists of two very similar independent Cu(Tpy)H 2P2O7 monomeric units (Tpy is 2,2′:6′,2″-terpyridine) plus four and a half water mol-ecules of hydration, some of which are disordered. Tpy units bind through the usual triple bite via their N atoms, and the H2P2O7 2- anions coordinate through two O atoms from two different phosphate units. Each independent CuN3O2 chromophore can be described as a slightly deformed square pyramid, with one of them having a sixth, semicoordinated, O atom from a centrosymmetrically related CuN 3O2 unit in a weakly bound second apical position suggesting an octa-hedral environment for the cation and weak dimerization of the molecule. The two independent complex molecules are connected via two strong O - H⋯O inter-actions between the phosphate groups to form hydrogen-bonded dinuclear units, further linked into [111] columns, resulting in a very complex three-dimensional supra-molecular structure through a variety of classical and nonclassical hydrogen bonds, as well as π-π interactions. © 2011 International Union of Crystallography.
Documento: | Artículo |
Título: | Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate |
Autor: | Perec, M.; Baggio, R. |
Filiación: | INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Buenos Aires, Argentina Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina |
Palabras clave: | Apical positions; Complex molecules; Copper (ii); Copper complexes; Dihydrogen; Dinuclear units; Monomeric units; Phosphate group; Square pyramid; Terpyridines; Atoms; Chromophores; Complexation; Hydrates; Hydration; Hydrogen; Hydrogen bonds; Copper compounds; bis((dihydrogen pyrophosphato kappa(2)O,O')(2,2':6',2'' terpyridine kappa(3)N,N',N'')copper(II)) 4.5 hydrate; bis((dihydrogen pyrophosphato-kappa(2)O,O')(2,2':6',2''-terpyridine-kappa(3)N,N',N'')copper(II)) 4.5-hydrate; bis(dihydroxyethyldithiocarbamate)Cu (II) complex; copper; diethyldithiocarbamic acid; drug derivative; ion; organometallic compound; pyridine derivative; article; chemical structure; chemistry; dimerization; hydrogen bond; X ray crystallography; Copper; Crystallography, X-Ray; Dimerization; Ditiocarb; Hydrogen Bonding; Ions; Molecular Structure; Organometallic Compounds; Pyridines |
Año: | 2011 |
Volumen: | 67 |
Número: | 5 |
Página de inicio: | m140 |
Página de fin: | m144 |
DOI: | http://dx.doi.org/10.1107/S0108270111012121 |
Título revista: | Acta Crystallographica Section C: Crystal Structure Communications |
Título revista abreviado: | Acta Crystallogr Sect C Cryst Struct Commun |
ISSN: | 01082701 |
CODEN: | ACSCE |
CAS: | copper, 15158-11-9, 7440-50-8; diethyldithiocarbamic acid, 147-84-2, 148-18-5, 3699-30-7, 392-74-5; Copper, 7440-50-8; Ditiocarb, 147-84-2; Ions; Organometallic Compounds; Pyridines; bis((dihydrogen pyrophosphato-kappa(2)O,O')(2,2':6',2''-terpyridine-kappa(3)N,N',N'')copper(II)) 4.5-hydrate; bis(dihydroxyethyldithiocarbamate)Cu (II) complex |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v67_n5_pm140_Perec |