INVESTIGADORES
SUAREZ Sebastian
artículos
Título:
Structural characterization of a hybrid terpyridine pyrazine ligand and its one-dimensional ZnII coordination polymer: A computational approach to conventional and nonconventional intermolecular interactions
Autor/es:
GRANIFO, JUAN; GAVINO, RUBEN; SUAREZ, SEBASTIAN; BAGGIO, RICARDO
Revista:
Acta Crystallographica Section C: Structural Chemistry
Editorial:
International Union of Crystallography
Referencias:
Año: 2019 vol. 75 p. 1299 - 1299
Resumen:
The structures of a new hybrid terpyridine-pyrazine ligand, namely 4′-[4-(pyrazin-2-yl)phenyl]-4,2′:6′,4′′-terpyridine (L2), C25H17N5, and its one-dimensional coordination polymer catena-poly[[bis(acetylacetonato-κ2 O,O′)zinc]-μ-4′-[4-(pyrazin-2-yl-κN 4)phenyl]-4,2′:6′,4′′-terpyridine-κN 1], [Zn(C5H7O2)2(C25H17N5)] n or [Zn(acac)2(L2)] n (Hacac is acetylacetone), are reported. Packing interactions in both crystal structures are analyzed using Hirshfeld surface and enrichment ratio techniques. For the simpler structure of the monomeric ligand, further studies on the interaction hierarchy using the energy framework approach were made. The result was a complete picture of the intermolecular interaction landscape, which revealed some subtle details, for example, that some weak (at first sight negligible) C - H⋯N interactions in the structure of free L2 play a relevant role in the crystal stabilization.
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