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697587.pdf (2.77 MB)

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2019-11

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cc-by (c) Sánchez-Férez, F. et al., 2019
Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/159877

Isonicotinamide-Based Compounds: From Cocrystal to Polymer

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https://doi.org/10.3390/molecules24224169

Resum

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.

Matèries

Geoquímica, Cristal·lografia

Matèries (anglès)

Geochemistry, Crystallography

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Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

Citació

SÁNCHEZ-FÉREZ, Francisco, et al. Isonicotinamide-Based Compounds: From Cocrystal to Polymer. Molecules. 2019. Vol. 24, num. 22, pags. 4169. ISSN 1420-3049. [consulted: 18 of August of 2026]. Available at: https://hdl.handle.net/2445/159877

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