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Conformational features of imipramine hydrochloride in aqueous solution as detected by 1 H NMR relaxation analysis
Author(s) -
Gaggelli Elena,
Marchettini Nadia,
Valensin Gianni
Publication year - 1991
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260290912
Subject(s) - chemistry , dimer , imipramine , relaxation (psychology) , moiety , intermolecular force , monomer , aqueous solution , proton nmr , crystallography , dipole , stereochemistry , molecule , organic chemistry , polymer , medicine , psychology , social psychology , alternative medicine , pathology
Proton NMR measurements were performed and 1 H 1 H dipolar interaction energies were measured to delineate the conformation of imipramine in solution. Self‐association of imipramine into dimers was observed and a dimerization constant of 121 mol −1 was calculated. The motional correlation times for the monomer and the dimer were calculated at τ cm = 0.18 ns and τ cd = 0.36 ns, respectively. The geometry of the self‐stacked dimer was analysed by measuring intermolecular dipolar cross‐relaxation rates and interpreted in terms of the conformation of the aminoalkyl moiety.