Issue 32, 2010
From the journal:

Chemical Communications

Probing heterocycle conformation with residual dipolar couplings†

Chakicherla Gayathri,a   M. Carmen de la Fuente,b   Burkhard Luy,c   Roberto R. Gil*a  and  Armando Navarro-Vázquez*d  

* Corresponding authors

a Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, Pennsylvania 15213, USA
E-mail: rgil@andrew.cmu.edu
Fax: +1 412 2681061
Tel: +1 412 2684313

b Departamento de Química Orgánica, Facultade de Química, Universidade de Santiago de Compostela, 15782 Santiago de Compostela, Spain

c Deparment Chemie, Lehrstuhl für Organische Chemie II, Technische Universität München, 85747 Garching, Germany

d Departamento de Química Orgánica, Universidade de Vigo, Vigo, Spain
E-mail: armando.navarro@uvigo.es
Fax: +34 986 812262
Tel: +34 986 812226

Abstract

Residual dipolar couplings (RDCs) obtained in a stretched polydimethylsiloxane gel are applied to determine the 7-membered ring conformation in a 2-phenyl-3-benzazepine derivative, and to simultaneously assign all methylene proton pairs using only 1DCH RDCs and DFT molecular modelling data.

Graphical abstract: Probing heterocycle conformation with residual dipolar couplings

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Article information

DOI
https://doi.org/10.1039/C0CC01271H
Article type
Communication
Submitted
06 May 2010
Accepted
14 Jun 2010
First published
13 Jul 2010

Chem. Commun., 2010,46, 5879-5881

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Probing heterocycle conformation with residual dipolar couplings

C. Gayathri, M. C. de la Fuente, B. Luy, R. R. Gil and A. Navarro-Vázquez, Chem. Commun., 2010, 46, 5879 DOI: 10.1039/C0CC01271H

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