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Neutron diffraction studies on guest-induced distortions in urea inclusion compounds.

Lee, Rachael and Mason, Sax A. and Mossou, Estelle and Lamming, Glenn and Probert, Michael R. and Steed, Jonathan W. (2016) 'Neutron diffraction studies on guest-induced distortions in urea inclusion compounds.', Crystal growth & design., 16 (12). pp. 7175-7185.

Abstract

Single crystal neutron structures at several temperatures have been determined for β-phase urea inclusion compounds containing hexadecane, 1,6-dibromohexane, and 2,7-octanedione guests. The neutron structure of the “partial channel” cocrystal of urea and DMF is also reported. Here we present an in-depth discussion and analysis of the structure and bonding of this urea series, in particular, how the guest compound affects the symmetry and hydrogen bonding of the host urea network. Additionally, we address the challenge of obtaining crystals suitable for neutron diffraction and present a new heating/cooling device to aid crystallization.

Item Type:Article
Full text:(AM) Accepted Manuscript
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Status:Peer-reviewed
Publisher Web site:https://doi.org/10.1021/acs.cgd.6b01371
Publisher statement:This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth & Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.cgd.6b01371.
Date accepted:01 November 2016
Date deposited:12 December 2016
Date of first online publication:11 November 2016
Date first made open access:11 November 2017

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