153648-49-8Relevant academic research and scientific papers
Crystal structure of ethyl 4-methylthio-3-phenyl-2-thioxo-2,3-dihydro-1,3-oxazole-5-carboxylate
Heinemann, Frank W.,Doelling, Wolfgang,Gildenast, Thomas,Hartung, Helmut
, p. 237 - 240 (1995)
The title compound C13H13NO3S2 crystallizes in the triclinic space group P (Z=2) with lattice constants a=8.382(2), b=10.042(2), c=10.134(2) Angstroem, α=119.35(1) deg, β=101.40(1) deg and γ=90.54(1) deg.The interplanar angle between the least squares planes of the 1,3-oxazoline ring and the phenyl ring amounts to 90.2 deg, thus hindering conjugation between the benzene and heterocyclic system.The observed bond parameters of the five-membered heterocycle suggest a significant contribution from a zwitterionic dipolar limiting structure to the description of this ring system.The particular contributions of the resonance structures were estimated by calculations using the HOSE model on the base of the observed bond lengths.KEY WORDS: Crystal structure, 1,3-oxazoline-2-thione, resonance structures.
REACTIONS OF α-OXYGEN SUBSTITUTED METHYLENE ACTIVE DITHIOCARBONATES, THIOCARBAMATES, AND CARBAMATES WITH HETEROCUMULENES
Doelling, Wolfgang,Gildenast, Thomas
, p. 163 - 170 (2007/10/02)
The new compounds ethyl 4-methylthio-2-thioxo-1,3-oxathiole-5-carboxylate 2, ethyl 4-methylthio-3-phenyl-2-thioxo-1,3-oxazoline-5-carboxylate 3, O-1-cyano-2,2-bis(methylthio)vinyl N,N-dimethyl thiocarbamate 7, and 1-cyano-2,2-bis(methylthio)vinyl N,N-dime
