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DI- AND TETRAIODOXYLENES: STRUCTURE AND FEATURES OF NON-COVALENT INTERACTIONS IN A SOLID STATE

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Abstract

The structures of 1,4-diiodo-2,5-dimethylbenzene (1) and 1,3,4,6-tetraiodo-2,5-dimethylbenzene (2) are determined by single crystal X-ray diffraction. The packing motif in 2 is mainly determined by π-stacking and the system of halogen⋯halogen contacts between the stacks. In the structure of 1, it is determined by the presence of both π-stacking and the interaction between σ-holes of iodine atoms and the π-system of the neighboring molecules. The thermal stability of 1 and 2 is studied and the optical spectra are measured.

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Funding

The work was supported by the Russian Science Foundation (grant No. 21-73-20019).

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Correspondence to D. A. Zherebtsov.

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The authors declare that they have no conflicts of interests.

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Russian Text © The Author(s), 2022, published in Zhurnal Strukturnoi Khimii, 2022, Vol. 63, No. 4, pp. 504-509.https://doi.org/10.26902/JSC_id90869

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Rajakumar, K., Sharutin, V.V., Adonin, S.A. et al. DI- AND TETRAIODOXYLENES: STRUCTURE AND FEATURES OF NON-COVALENT INTERACTIONS IN A SOLID STATE. J Struct Chem 63, 620–625 (2022). https://doi.org/10.1134/S0022476622040138

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