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Heteroleptic Zn(II) Halide Complexes with Iodine-Substituted Benzonitriles: Peculiarities of the Halogen Bond in the Solid State

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Abstract

The reactions of zinc(II) bromide with 3- and 4-iodobenzonitriles (3-I-BzCN and 4-I-Bz-CN) afford heteroligand complexes [L2ZnBr2] (L = 3-I-BzCN (I) and 4-I-BzCN (II)), whose structures are determined by X-ray diffraction (XRD) (CIF files CCDC nos. 2253175 (I) and 2253176 (II)). Both crystal structures contain halogen bonds I···Br linking the [ZnBr2L2] fragments into supramolecular layers (I) or chains (II). The energies of these noncovalent interactions are estimated by quantum-chemical calculations.

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Funding

This work was supported by the Ministry of Science and Higher Education of the Russian Federation (structural characterization of samples, project no. 121031700313-8).

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    M. A. Vershinin, M. N. Sokolov & S. A. Adonin

  2. St. Petersburg State University, St. Petersburg, Russia

    A. S. Novikov

  3. Favorsky Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russia

    S. A. Adonin

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  1. M. A. Vershinin
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Vershinin, M.A., Novikov, A.S., Sokolov, M.N. et al. Heteroleptic Zn(II) Halide Complexes with Iodine-Substituted Benzonitriles: Peculiarities of the Halogen Bond in the Solid State. Russ J Coord Chem 50, 1–6 (2024). https://doi.org/10.1134/S1070328423700690

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