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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

✍ Scribed by Yohann Benchabane; Gérard Boyer; Stéphane Humbel; Ibon Alkorta; José Elguero

Publisher: Elsevier Science
Year: 2009
Tongue: English
Weight: 425 KB
Volume: 928
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2009.03.028

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✦ Synopsis

Two 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 ( 1 H and 13 C) 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.

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