Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-Dithiadiazolyl) [N3c3(cn2s2)3]

by Cordes, A. Wallace; Haddon, Robert C.; Hicks, Robin G.; Kennepohl, Dietmar K.; Oakley, Richard T.; Schneemeyer, Lynn F.; Waszczak, Joseph V.

The preparation and solid-state characterization of the 1,3,5-triazine-bridged tris(1,2,3,5-dithiadiazolyl) complex 4,4',4''-(2,4,6-(1,3,5-triazinetriyl))tris(1,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3] are described. The crystals belong to the monoclinic space group C2/c, with a = 20.759(7) angstrom, b = 10.525(3) angstrom, c = 17.554(3) angstrom, beta = 140.18(4)-degrees, fw = 390.5, Z = 8, and V = 2456.2(12) angstrom3. 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) angstrom, while in the other there are both long (3.225(4) angstrom) and short (2.8 72(4) angstrom) 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) angstrom. In addition to the latter interactions, there are numerous lateral interdimer S --- S contacts close to or within the van der Waals range.

Journal
Inorganic Chemistry
Volume
32
Issue
9
Year
1993
Start Page
1554
ISBN/ISSN
1520-510X; 0020-1669
DOI
10.1021/ic00061a007