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

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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.

作者简介

M. Vershinin

Nikolaev Institute of Inorganic Chemistry, Siberian Branch

Email: adonin@niic.nsc.ru
俄罗斯联邦, Novosibirsk

A. Novikov

St. Petersburg State University

Email: adonin@niic.nsc.ru
俄罗斯联邦, St. Petersburg

M. Sokolov

Nikolaev Institute of Inorganic Chemistry, Siberian Branch

Email: adonin@niic.nsc.ru
俄罗斯联邦, Novosibirsk

S. Adonin

Nikolaev Institute of Inorganic Chemistry, Siberian Branch

编辑信件的主要联系方式.
Email: adonin@niic.nsc.ru
俄罗斯联邦, Novosibirsk

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