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Cu(NH2SO3) π-Complexes with Allyl Derivatives of 1,3,4-Thiadizoles: Synthesis and Structural Formation Through Weak Interactions

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Abstract

This work is directed toward the synthesis and structure characterization of the two novel copper(I) sulfamate π,σ-complexes [Cu2(Thiaz2)2(NH2SO3)2] (1) and [Cu2(Thiaz3)(NH2SO3)2]·2H2O (2) based on 2-amino-5-allylthio-1,3,4-thiadiazole (Thiaz2) and N2,N5-di(allyl)-1,3,4-thiadiazole-2,5-diamine (Thiaz3) ligands. Structural analysis of 1 was performed in comparison with the earlier-studied, similar complex [Cu2(Thiaz1)2(NH2SO3)2] (3) (Thiaz1-2-allylamino-5-methyl-1,3,4-thiadiazole). In the structures of 1–3, the respective organic molecule fully realizes its coordination ability being attached to the metal centres through two nitrogen atoms of 1,3,4-thiadiazole core as well as by one η2-allyl groups in 1 and 3 or by two η2-allyl groups in 2. In crystal structures of 1 & 2, [Cu2(Thiaz)2(NH2SO3)2] dimers are interconnected by N–H⋯O hydrogen bonds into layers, while water molecules in 2 connect NH2SO3− anions into hydrogen-bonded ribbon which together with N–H⋯O bonds of Thiaz3 amino-groups stitch organometallic fragments into a framework. To depict H-bonded interaction in the structures 1–3 Hirshfeld surface analysis has been performed.

Graphic Abstract

The synthesis and X-ray structures of Cu(NH2SO3) π,σ-complexes based on allyl-substituted 1,3,4-thiadiazole ligands are presented and weak interactions are specially discussed.

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Acknowledgements

The authors are greatly thankful to the Ministry of Education and Science of Ukraine (2020–2022) for financially support.

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Authors and Affiliations

  1. Ivan Franko National University of Lviv, Kyryla i Mefodiya Str., 6, Lviv, 79005, Ukraine

    Yurii I. Slyvka, Nazariy T. Pokhodylo & Marian G. Mys’kiv

  2. Jožef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia

    Evgeny А. Goreshnik

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  1. Yurii I. Slyvka
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  3. Nazariy T. Pokhodylo
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10870_2021_906_MOESM1_ESM.pdf

CCDC 2072149 (1) and 2072151 (2) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/structures. Supplementary file1 (PDF 133 kb)

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Slyvka, Y.I., Goreshnik, E.А., Pokhodylo, N.T. et al. Cu(NH2SO3) π-Complexes with Allyl Derivatives of 1,3,4-Thiadizoles: Synthesis and Structural Formation Through Weak Interactions. J Chem Crystallogr 52, 205–213 (2022). https://doi.org/10.1007/s10870-021-00906-0

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