Neutron Diffraction Studies on Guest-Induced Distortions in Urea Inclusion Compounds

Lee, Rachael; Mason, Sax A.; Mossou, Estelle; Lamming, Glenn; Probert, Michael R.; Steed, Jonathan W.

doi:10.1021/acs.cgd.6b01371

Neutron Diffraction Studies on Guest-Induced Distortions in Urea Inclusion Compounds

Lee, Rachael; Mason, Sax A.; Mossou, Estelle; Lamming, Glenn; Probert, Michael R.; Steed, Jonathan W.

Authors

Rachael Lee

Sax A. Mason

Estelle Mossou

Glenn Lamming

Michael R. Probert

Professor Jonathan Steed jon.steed@durham.ac.uk
Professor

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.

Citation

Lee, R., Mason, S. A., Mossou, E., Lamming, G., Probert, M. R., & Steed, J. W. (2016). Neutron Diffraction Studies on Guest-Induced Distortions in Urea Inclusion Compounds. Crystal Growth and Design, 16(12), 7175-7185. https://doi.org/10.1021/acs.cgd.6b01371

Journal Article Type	Article
Acceptance Date	Nov 1, 2016
Online Publication Date	Nov 11, 2016
Publication Date	Dec 7, 2016
Deposit Date	Dec 9, 2016
Publicly Available Date	Nov 11, 2017
Journal	Crystal Growth and Design
Print ISSN	1528-7483
Electronic ISSN	1528-7505
Publisher	American Chemical Society
Peer Reviewed	Peer Reviewed
Volume	16
Issue	12
Pages	7175-7185
DOI	https://doi.org/10.1021/acs.cgd.6b01371

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Copyright 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.