Artículo
Abstract:
In the monomeric title compound, [Cu(C4H4O 5)(C6H6N2O)(H2O)] ·1.5H2O, the CuII cation is bound in a square-pyramidal coordination to a tridentate oxydiacetate (ODA) ligand, a monodentate pyridine-3-carboxamide (p3ca) ligand and one aqua ligand, where the two organic ligands form the basal plane and the water O atom occupies the unique apical site. The ODA ligand presents a slight out-of-plane puckering in its central ether O atom, while the p3ca ligand is essentially planar. The availability of efficient donors and acceptors for hydrogen bonding results in the formation of strongly linked hydrogen-bonded bilayers parallel to (101), with an inter-planar distance of 3.18 (1) Å and a stacking separation between the bilayers of 3.10 (1) Å, both of them governed by extended π-π inter-actions. The disordered nature of the solvent water mol-ecules around inversion centres is discussed. The monoaqua compound is compared with the octa-hedral diaqua nalogue, [Cu(C4H4O 5)(C6H6N2O)(H2O) 2], eported recently [Perec & Baggio (2009). Acta Cryst. C65, m296-m298]. © 2010 International Union of Crystallography.
Registro:
| Documento: | Artículo |
| Título: | Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate |
| Autor: | Perec, M.; Baggio, R. |
| Filiación: | INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física, Universidad de Buenos Aires, Buenos Aires, Argentina Departamento de Física, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina |
| Palabras clave: | Aqua ligands; Basal planes; Bi-layer; Carboxamides; Copper (ii); Hydrogen bondings; Monodentates; Monomeric title compound; Organic ligands; Out-of-plane; Pyramidal coordination; Ethers; Hydrogen; Hydrogen bonds; Pyridine; Ligands |
| Año: | 2010 |
| Volumen: | 66 |
| Número: | 11 |
| Página de inicio: | m339 |
| Página de fin: | m342 |
| DOI: | http://dx.doi.org/10.1107/S0108270110040989 |
| Título revista: | Acta Crystallographica Section C: Crystal Structure Communications |
| Título revista abreviado: | Acta Crystallogr Sect C Cryst Struct Commun |
| ISSN: | 01082701 |
| CODEN: | ACSCE |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v66_n11_pm339_Perec |
Referencias:
- Allen, F.H., (2002) Acta Cryst., B58, pp. 380-388
- Bernstein, J., Davis, R.E., Shimoni, L., Chang, N.-L., (1995) Angew. Chem. Int. Ed. Engl., 34, pp. 1555-1573
- Oxford Diffraction (2009). CrysAlis Pro. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England; Perec, M., Baggio, R., (2009) Acta Cryst., C65, pp. m296-m298
- Perec, M., Baggio, R., Sartoris, R., Santana, R.C., Pena, O., Calvo, R., (2010) Inorg. Chem., 49, pp. 695-698
- Sartoris, R., Santana, R.C., Baggio, R.F., Pena, O., Perec, M., Calvo, R., (2010) Inorg. Chem., 49, pp. 5650-5657
- Sheldrick, G.M., (2008) Acta Cryst., A64, pp. 112-122
- Spek, A.L., (2009) Acta Cryst., D65, pp. 148-155
Citas:
---------- APA ----------
Perec, M. & Baggio, R. (2010) . Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate. Acta Crystallographica Section C: Crystal Structure Communications, 66(11), m339-m342.http://dx.doi.org/10.1107/S0108270110040989
---------- CHICAGO ----------
Perec, M., Baggio, R. "Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate" . Acta Crystallographica Section C: Crystal Structure Communications 66, no. 11 (2010) : m339-m342.http://dx.doi.org/10.1107/S0108270110040989
---------- MLA ----------
Perec, M., Baggio, R. "Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate" . Acta Crystallographica Section C: Crystal Structure Communications, vol. 66, no. 11, 2010, pp. m339-m342.http://dx.doi.org/10.1107/S0108270110040989
---------- VANCOUVER ----------
Perec, M., Baggio, R. Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate. Acta Crystallogr Sect C Cryst Struct Commun. 2010;66(11):m339-m342.http://dx.doi.org/10.1107/S0108270110040989
