A new synthesis of 1-aryl-5-cyano-1H-pyrazole-4-carboxylic acid, ethyl esters
β Scribed by James R. Beck; Stephen A. Ackmann; Michael A. Staszak; Fred L. Wright
- Book ID
- 112128960
- Publisher
- Journal of Heterocyclic Chemistry
- Year
- 1988
- Tongue
- English
- Weight
- 347 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0022-152X
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π SIMILAR VOLUMES
In the crystal structure of the title compound, C 8 H 12 N 2 O 2 S, the molecules are linked into centrosymmetric dimers by a pair of strong O-HΓ Γ ΓO hydrogen bonds. Intermolecular SΓ Γ ΓS contacts between adjacent dimers generate a sheet-like structure running parallel to the (211) plane.
## Abstract A compilation of ^13^C NMR chemical shifts for 13 pairs of 3β and 5βcyanoβsubstituted pyrazole regioisomers is reported. All of the ring carbon and cyano carbon ^13^C chemical shifts show a regular, predictable correlation with the particular isomer, whether 3βcyano or 5βcyano. These sh