Title

Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-Dithiadiazolyl) [N3C3(CN2S2)3]

Document Type

Article

Publication Date

1-1-1993

Abstract

The preparation and solid-state characterization of the 1,3,5-triazine-bridged tris(l,2,3,5-dithiadiazolyl) complex 4,4′,4″-(2,4,6-(l,3,5-triazinetriyl))tris(l,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3] are described. The crystals belong to the monoclinic space group C2/c, with a = 20.759(7) Å, b = 10.525(3) Å, c = 17.554(3) Å, β = 140.18(4)°, fw = 390.5, Z = 8, and V= 2456.2(12) Å3. The crystal structure consists of layers of interlocked dimers. Alternate layers are oriented in an antiparallel fashion, thereby precluding a stacked structure similar to that found in the related 1,3,5-benzene-based triradical. There are two dimerization environments. In one of these there are two equivalent interannular S- - -S contacts of 3.069(4) Å, while in the other there are both long (3.225(4) Å) and short (2.872(4) Å) interannular S- - -S contacts. The antiparallel layered structure leads to a skewed stacking arrangement in which the close interdimer S- - -S contacts are 3.736(4) and 3.784(4) Å. In addition to the latter interactions, there are numerous lateral interdimer S- - -S contacts close to or within the van der Waals range.

DOI

10.1021/ic00061a007

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