Jump to main content
Jump to site search
SCHEDULED MAINTENANCE Close the message box

Maintenance work is planned for Monday 16 August 2021 from 07:00 to 23:59 (BST).

Website performance may be temporarily affected and you may not be able to access some PDFs or images. If this does happen, refreshing your web browser should resolve the issue. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 44, 2006

An NMR strategy for obtaining multiple conformational constraints for 15N–13C spin-pair labelled organic solids

Author affiliations

Abstract

This work demonstrates a solid-state NMR strategy for extracting multiple interatomic distance and angle constraints from moderately complex solid organic compounds containing a single 13C label and a single 15N label. It is shown that the constraints obtained for the compound cimetidine, with the labels placed at positions directed by the standard synthetic route, are sufficient to provide reliable estimates of 5 of the 8 torsional degrees of freedom in the molecule and are consistent with a molecular conformation close to that determined by crystallography. This strategy will be useful for determining the conformations of sparsely-labelled small molecules in motionally restrained environments, such as within the binding sites of membrane-embedded receptors.

Graphical abstract: An NMR strategy for obtaining multiple conformational constraints for 15N–13C spin-pair labelled organic solids

Article information


Submitted
13 Jul 2006
Accepted
25 Sep 2006
First published
10 Oct 2006

Phys. Chem. Chem. Phys., 2006,8, 5223-5228
Article type
Paper

An NMR strategy for obtaining multiple conformational constraints for 15N–13C spin-pair labelled organic solids

J. Madine and D. A. Middleton, Phys. Chem. Chem. Phys., 2006, 8, 5223 DOI: 10.1039/B610014G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements