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Halogen, chalcogen, and hydrogen bonding in organoiodine cocrystals of heterocyclic thiones: imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole

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A series of 18 cocrystals were obtained through the combination of the heterocyclic molecules imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole with the common halogen-bond donors 1,2-, 1,3-, and 1,4-diiodotetrafluorobenzene, 1,3,5-trifluorotriiodobenzene,… Click to show full abstract

A series of 18 cocrystals were obtained through the combination of the heterocyclic molecules imidazolidine-2-thione, 2-mercaptobenzimidazole, 2-mercapto-5-methylbenzimidazole, 2-mercaptobenzoxazole, and 2-mercaptobenzothiazole with the common halogen-bond donors 1,2-, 1,3-, and 1,4-diiodotetrafluorobenzene, 1,3,5-trifluorotriiodobenzene, and tetraiodoethylene. A rich series of hydrogen-, halogen-, and chalcogen-bonding interactions were observed.

Keywords: halogen; thione mercaptobenzimidazole; methylbenzimidazole mercaptobenzoxazole; mercaptobenzimidazole mercapto; imidazolidine thione; mercapto methylbenzimidazole

Journal Title: Acta Crystallographica. Section C, Structural Chemistry
Year Published: 2022

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