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A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6-yl)-isophthalamide and N2,N6-di(3-aminoacridin-6-yl)-2,6-dicarboxamide

AuthorsBenchabane, Y.; Boyer, G.; Humbel, S.; Alkorta, Ibon ; Elguero, José
Issue Date2009
CitationJournal of Molecular Structure 928: 132- 137 (2009)
AbstractTwo bis-flavine derivatives linked by a 1,3-diamidobenzene and a 1,3-diamidopyridine have been prepared and their conformation determined by a combination of NMR experiments (1H and 13C) and DFT calculations including GIAO absolute shieldings. In the case of the pyridyl derivative, the conformation of minimum energy is stabilized by intramolecular hydrogen bonds. © 2009 Elsevier B.V. All rights reserved.
Publisher version (URL)http://dx.doi.org/10.1016/j.molstruc.2009.03.028
Identifiersdoi: 10.1016/j.molstruc.2009.03.028
issn: 0022-2860
Appears in Collections:(IQM) Artículos
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