2026-04-17T18:15:54Zhttps://recercat.cat/oai/requestoai:recercat.cat:2445/1598772025-12-05T14:33:28Zcom_2072_1057col_2072_478917col_2072_478923
RECERCAT
author
Sánchez-Férez, Francisco
author
Ejarque, Daniel
author
Calvet Pallàs, Maria Teresa
author
Font Bardia, Ma. Mercedes
author
Pons, Josefina
2020-05-13T06:53:33Z2020-05-13T06:53:33Z2019-112020-05-13T06:53:33Z
The reaction between [Cu(μ-OAc)(μ-Pip)(MeOH)]2 (1) (OAc = acetate; Pip = 1,3-benzodioxole-5-carboxylate) and isonicotinamide (Isn) in MeOH as solvent yielded two mixture pairs of three compounds: {(HPip)2(Isn) (2), [Cu(Pip)2(Isn)2] (3)} and {(3), {[Cu3(Pip)2(OAc)2(μ-Isn)2(Isn)2(μ-OCH3)2(MeOH)2]·2MeOH}n (4)}. Modifying the reaction conditions (t, T, molar ratio), 2 and 3 have been successfully isolated, whereas 3 and 4 had to be mechanically separated. The recrystallization of 3 in pentanol yielded single crystals of compound [Cu(Pip)2(Isn)2]·C5H11OH (3a). The X-ray crystal structure of 2, 3a, and 4 has been elucidated showing a cocrystal, a monomer, and an unusual coordination polymer, respectively. The Pip ligand exhibited a chelate (3a) or a monodentate (4) coordination mode, but the Isonicotinamide (Isn) ligand is the one that promoted the arrangement of different structures and also mainly directs the formation of the 2D and 3D supramolecular assemblies. All the structures have been analyzed by Hirshfeld surface. In addition, the energy frameworks and lattice energy values of 2 and 3a have been calculated.
cc-by (c) Sánchez-Férez, F. et al., 2019 http://creativecommons.org/licenses/by/3.0/es info:eu-repo/semantics/openAccess
Geoquímica
Cristal·lografia
Geochemistry
Crystallography
Isonicotinamide-Based Compounds: From Cocrystal to Polymer
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion