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

A. W. Cordes, R. C. Haddon, R. G. Hicks, D. K. Kennepohl, R. T. Oakley, Lynn Schneemeyer, J. V. Waszczak

Research output: Contribution to journalArticle

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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.

Original languageEnglish
Pages (from-to)1554-1558
Number of pages5
JournalInorganic Chemistry
Volume32
Issue number9
DOIs
StatePublished - 1 Jan 1993

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Triazines
Dimerization
Benzene
Dimers
Crystal structure
solid state
preparation
Crystals
dimerization
benzene
dimers
crystal structure
crystals
interactions

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Cordes, A. W., Haddon, R. C., Hicks, R. G., Kennepohl, D. K., Oakley, R. T., Schneemeyer, L., & Waszczak, J. V. (1993). Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3]. Inorganic Chemistry, 32(9), 1554-1558. https://doi.org/10.1021/ic00061a007
Cordes, A. W. ; Haddon, R. C. ; Hicks, R. G. ; Kennepohl, D. K. ; Oakley, R. T. ; Schneemeyer, Lynn ; Waszczak, J. V. / Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3]. In: Inorganic Chemistry. 1993 ; Vol. 32, No. 9. pp. 1554-1558.
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title = "Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3]",
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) {\AA}, b = 10.525(3) {\AA}, c = 17.554(3) {\AA}, β = 140.18(4)°, fw = 390.5, Z = 8, and V= 2456.2(12) {\AA}3. 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) {\AA}, while in the other there are both long (3.225(4) {\AA}) and short (2.872(4) {\AA}) 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) {\AA}. In addition to the latter interactions, there are numerous lateral interdimer S- - -S contacts close to or within the van der Waals range.",
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Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3]. / Cordes, A. W.; Haddon, R. C.; Hicks, R. G.; Kennepohl, D. K.; Oakley, R. T.; Schneemeyer, Lynn; Waszczak, J. V.

In: Inorganic Chemistry, Vol. 32, No. 9, 01.01.1993, p. 1554-1558.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Preparation and Solid State-Structure of the 1,3,5-Triazine-Bridged Tris(1,2,3,5-dithiadiazolyl) [N3C3(CN2S2)3]

AU - Cordes, A. W.

AU - Haddon, R. C.

AU - Hicks, R. G.

AU - Kennepohl, D. K.

AU - Oakley, R. T.

AU - Schneemeyer, Lynn

AU - Waszczak, J. V.

PY - 1993/1/1

Y1 - 1993/1/1

N2 - 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.

AB - 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.

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U2 - 10.1021/ic00061a007

DO - 10.1021/ic00061a007

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JF - Inorganic Chemistry

SN - 0020-1669

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