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MOLECULAR CONFORMATIONS AND CRYSTAL STRUCTURES OF 1,3- DITHIOCINES, 1,2,3-TRITHIOCINES, AND 1,2,3-TRITHIEPINES WITH CONDENSED PLANAR FRAGMENTS

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Abstract

Molecular and crystal structures of the following three cyclic compounds with condensed naphthyl fragments are studied: crystals of 1H,5H-naphtho[1,8-ef][1,3]dithiocine and 1H,5H-naphtho[1,8-ef][1,2,3]trithiocine, and an isomer of the latter compound with a seven-membered heterocycle 1,5-dihydronaphtho[2,3-e][1,2,3]trithiepine. The crystals of the first two compounds are isostructural. It is shown that eight-membered heterocycles and the seven-membered ring in the sulfur-containing molecules occur in boat and chair conformations, respectively, in contrast to acetals of a similar structure. The crystal structure of the studied compounds is determined by dispersion Van der Waals interactions.

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Funding

The X-ray diffraction study was carried out in the Assigned Spectral-Analytical Center of FRC Kazan Scientific Center of RAS. The work was funded by the State Assignment for FRC Kazan Scientific Center of RAS).

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  1. Arbuzov Institute of Organic and Physical Chemistry, Kazan Scientific Center, Russian Academy of Sciences, Kazan, Russia

    I. A. Litvinov

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  1. I. A. Litvinov
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Correspondence to I. A. Litvinov.

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Russian Text © The Author(s), 2022, published in Zhurnal Strukturnoi Khimii, 2022, Vol. 63, No. 8, 95628.https://doi.org/10.26902/JSC_id95628

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Litvinov, I.A. MOLECULAR CONFORMATIONS AND CRYSTAL STRUCTURES OF 1,3- DITHIOCINES, 1,2,3-TRITHIOCINES, AND 1,2,3-TRITHIEPINES WITH CONDENSED PLANAR FRAGMENTS. J Struct Chem 63, 1224–1230 (2022). https://doi.org/10.1134/S0022476622080030

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