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Title: Influence of the coordination-number of nitrogen on the structure of 6a-lambda(4)-thia-1,3,4,6-tetraazapentalenic systems - crystal-structure analyses of 3-(2-pyridylimino)-3h-[1,2,4]thiadiazolo[4,3-a]pyridine and its 1-methylated salt
Authors: Labbe, G ×
Van Meervelt, Luc
Emmers, S
Dehaen, Wim
Toppet, Suzanne #
Issue Date: Jan-1992
Publisher: Hetero corporation
Series Title: Journal of heterocyclic chemistry vol:29 issue:7 pages:1765-1768
Abstract: Structural data were obtained by X-ray crystallography for the title compounds which show that they are essentially planar and exhibit an approximately linear N2-S1-N8 arrangement. In compound 3 the separation between the sulfur atom and the pyridine nitrogen atom (2.61 angstrom) is larger than the Huggins constant energy distance (2.58 angstrom), suggesting that there is little or no bonding between them. The methylated salt 4, on the contrary, has a closer S...N(pyridine) distance (2.19 angstrom) with an estimated bond dissociation energy of 6 kcal/mole.
ISSN: 0022-152X
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Molecular Design and Synthesis
Biochemistry, Molecular and Structural Biology Section
× corresponding author
# (joint) last author

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