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Tautomeric polymorphism in salicylideneamine derivatives: An X-ray diffraction and solid-state NMR study

par Pizzala, Hélène;Carles, Micheline;Stone, William ;Thevand, André
Référence Journal of molecular structure, 526, 1-3, page (261-268)
Publication Publié, 2000-08

Article révisé par les pairs

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Résumé :

The crystal structure of the N-(3-hydroxysalicylidene)-4-methoxyaniline has been studied by single-crystal X-ray diffraction and solid-state NMR spectroscopy. This is the first example of a Schiff base derived from 3-hydroxysalicylaldehyde which displays in the asymmetric unit, four distinct molecules linked together in the crystal lattice by two types of intermolecular O-H···O hydrogen bonds and formed by two independent tetramers. The 13C CPMAS NMR study corroborates the above results; the presence of different tautomeric equilibria in the same crystal structure is demonstrated and a qualitative estimation of the equilibrium mixture composition is given. (C) 2000 Elsevier Science B.V.