Crystallographic, NMR and ab initio calculation studies of tautomerism among substituted dihydrothiazol-2-ylhydrazones

Johan Wouters, F. Javier Luque, Gloria Uccello Barretta, Federica Balzano, Rosario Pignatello, Salvatore Guccione

Résultats de recherche: Contribution à un journal/une revueArticleRevue par des pairs

Résumé

The structures of (±)-dihydrothiazolyl hydrazones 3a, b have been fully characterized by combining crystallography, NMR measurements in solution, and computational methods. The thiazolidine structure of the heterocycle is confirmed both by crystallography and in solution. The stability of the endocyclic N3 tautomeric form is confirmed by energy calculation at the MP2/6-31+G(d) level. The anti-E conformation observed in the crystal structures is retained in solution, in agreement with stability prediction.

langue originaleAnglais
Pages (de - à)1012-1016
Nombre de pages5
journalJournal of the Chemical Society, Perkin Transactions 2
Numéro de publication5
Les DOIs
Etat de la publicationPublié - 1 janv. 2002
Modification externeOui

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