Probing heterocycle conformation with residual dipolar couplings

Chakicherla Gayathri; M. Carmen de la Fuente; Burkhard Luy; Roberto R. Gil; Armando Navarro-Vázquez

doi:10.1039/C0CC01271H

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 ¹D_CH RDCs and DFT molecular modelling data.

Supplementary files

Publication details

The article was received on 06 May 2010, accepted on 14 Jun 2010 and first published on 13 Jul 2010

Article type: Communication

DOI: 10.1039/C0CC01271H

Citation: 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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Chemical Communications

Probing heterocycle conformation with residual dipolar couplings†

Abstract

Supplementary files

Publication details

Probing heterocycle conformation with residual dipolar couplings

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