Structure of inorganic compounds halogen bonds in derivatives of 2,5-diiod-1,4-dimethylbenzene

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The synthesis of 1,4-di(bromomethyl)-2,5-diiodo-benzene (1), diacetate of 2,5-diiodo–1,4-di(hydroxymethyl)benzene (2) and diiodide of 1,1’-[(2,5-diiodo-1,4-phenylene)bis(methylene)]dipyridinium (3) is described and their crystallographic data are given. All three crystal structures are characterized by the stacked packing of planar molecules and the presence of halogen bonds I–Br, I–O, and I–I, respectively. The number of halogen bonds is maximum in compound 1: two I–Br bonds for each halogen atom. Compounds 2 and 3 contain one halogen bond per halogen atom, but they are significantly shorter than in compound 1. All crystals were investigated by IR spectroscopy and synchronized thermal analysis. Compound 1, which has no ionic or hydrogen bonds, melts at a higher temperature than ionic compound 3 (218 and 200°C, respectively) due to the presence of a large number of intermolecular halogen bonds. Compound 2 melts at a lower temperature (151°C), which is characteristic of esters.

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作者简介

K. Rajakumar

South Ural State University

Email: zherebtcovda@susu.ru
俄罗斯联邦, Chelyabinsk

D. Zherebtsov

South Ural State University

编辑信件的主要联系方式.
Email: zherebtcovda@susu.ru
俄罗斯联邦, Chelyabinsk

S. Nayfert

South Ural State University

Email: zherebtcovda@susu.ru
俄罗斯联邦, Chelyabinsk

A. Osipov

South Ural State University

Email: aaosipov@susu.ru
俄罗斯联邦, Chelyabinsk

S. Adonin

South Ural State University; A. E. Favorsky Irkutsk Institute of Chemistry SB RAS

Email: zherebtcovda@susu.ru
俄罗斯联邦, Chelyabinsk; Irkutsk

D. Spiridonova

St. Petersburg State University

Email: zherebtcovda@susu.ru

Научный парк

俄罗斯联邦, St. Petersburg

参考

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2. Fig. 1. Fragment of the structures of compounds 1 (a), 2 (b) and 3 (c, d). Broken lines indicate halogen bonds, the number indicates the length of this bond in angstroms. Thin lines correspond to the shortest distances between iodine anions and positively charged nitrogen atoms.

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3. Fig. 2. IR spectra of compounds 1 (I), 2 (II), 3 (III).

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4. Fig. 3. Thermogram of joint 1.

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5. Fig. 4. Thermogram of connection 2.

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6. Fig. 5. Thermogram of connection 3.

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