The structure of N-methylbenzothiazole-2-selone dichloride: a novel ‘zipper’ arrangement of T-shaped molecules linked via intermolecular Cl–Cl contacts

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The reaction of 1 mole equivalent of sulfuryl chloride with N-methylbenzothiazole-2-selone, mbts, produces the yellow 1:1 addition compound, mbts·Cl 2 ( 1), which exhibits a T-shaped geometry with intermolecular Cl–Cl interactions. These give rise to a novel ‘zipper’ packing arrangement of linear chains of ClSeClClSeCl atoms in the crystalline state. Both T-shaped ClSeCl and linear SeCl⋯Cl moieties can be observed because of this; the latter interaction being essentially ionic rather than charge transfer. FT-Raman studies imply the presence of a green metastable isomer ( 2) of 1. Compound 1 represents the first structurally characterised 1:1 dichloride adduct of the form R 2CSeCl 2.