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Open Access Crystal structure of tetraisobutylthiuram disulfide

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Tetrakis(2-methylpropyl)thioperoxydicarbonic diamide, or tetraisobutylthiuram disulfide, C18H36N2S4, crystallizes in a general position in the triclinic space group P-1 but shows pseudo-C2 symmetry about the disulfide bond. The C—S—S—C torsion angle [−85.81 (2)°] and the dihedral angle between the two NCS2 mean planes [85.91 (5)°] are within the range observed for this compound type. Multiple intra- and intermolecular S...H—C close contacts appear to play a role in assisting the specific conformation of the pendant isobutyl groups and the packing arrangement of molecules within the cell. Tetraisobutylthiuram disulfide molecules of one optical configuration form sheets in the plane of the a and b axes. Inversion centers exist between adjoining sheets, which stack along the c axis and alternate in the handedness of their constituent molecules.
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Document Type: Research Article

Affiliations: 1: Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA 2: Department of Chemistry, SUNY Stony Brook, 100 Nicolls Road, Stony Brook, New York 11790-3400, USA

Publication date: January 1, 2017

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