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Crystal structure of tetra-iso-butyl-thiuram di-sulfide.

ABSTRACT: Tetra-kis(2-methyl-prop-yl)thio-per-oxy-dicarbonic di-amide, or tetra-iso-butyl-thiuram di-sulfide, C₁₈H₃₆N₂S₄, crystallizes in a general position in the triclinic space group P-1 but shows pseudo-C₂ symmetry about the di-sulfide 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 inter-molecular 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 mol-ecules within the cell. Tetra-iso-butyl-thiuram di-sulfide mol-ecules 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 mol-ecules.

SUBMITTER: Fontenot PR

PROVIDER: S-EPMC5683509 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of tetra-iso-butyl-thiuram di-sulfide.

Fontenot Patricia R PR Wang Bo B Chen Yueli Y Donahue James P JP

Acta crystallographica. Section E, Crystallographic communications 20171024 Pt 11

Tetra-kis(2-methyl-prop-yl)thio-per-oxy-dicarbonic di-amide, or tetra-iso-butyl-thiuram di-sulfide, C18H36N2S4, crystallizes in a general position in the triclinic space group P-1 but shows pseudo-C2 symmetry about the di-sulfide 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 i ...[more]

PMID: 29152369

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