Dr Tim Prior T.Prior@hull.ac.uk
Senior Lecturer in Inorganic Chemistry
Dr Tim Prior T.Prior@hull.ac.uk
Senior Lecturer in Inorganic Chemistry
Jennifer A. Armstrong
Dr David Benoit D.Benoit@hull.ac.uk
Senior Lecturer in Molecular Physics and Astrochemistry
Kayleigh L. Marshall
The crystal structure of the melamine:cyanuric acid (CA.M) adduct has been redetermined and the previously reported cell is shown to be incorrect. The true unit cell has approximately twice the volume of the earlier cell. Crystal data forCA.M: monoclinic, space groupI2/m,a= 14.8152(19) Å,b= 9.6353(18) Å,c= 7.0405(9) Å,β= 93.194(11)°,V= 1003.5(3) Å3,Z= 2. In contrast to the previous report, this contains an ordered array of cyanuric acid and melamine. Hydrogen bonding between the two components is described in detail and precise information about intermolecular distances reported for the first time. The structure contains hydrogen-bonded sheets stacked perpendicular to the crystallographic (101) plane. The molecular geometry of the cyanuric acid and melamine components is described in detail. Possible explanations for the difference between this structure and the previous report are described in the light of quantum chemical calculations.
Prior, T. J., Armstrong, J. A., Benoit, D. M., & Marshall, K. L. (2013). The structure of the melamine–cyanuric acid co-crystal. CrystEngComm RSC, 15(29), 5838-5843. https://doi.org/10.1039/c3ce40709h
Journal Article Type | Article |
---|---|
Acceptance Date | Jun 3, 2013 |
Online Publication Date | Jun 6, 2013 |
Publication Date | Aug 7, 2013 |
Journal | CrystEngComm |
Print ISSN | 1466-8033 |
Publisher | Royal Society of Chemistry |
Peer Reviewed | Peer Reviewed |
Volume | 15 |
Issue | 29 |
Pages | 5838-5843 |
DOI | https://doi.org/10.1039/c3ce40709h |
Keywords | Melamine, cyanuric acid, cyanurate, crystal structure, calculations, diffraction. |
Public URL | https://hull-repository.worktribe.com/output/429224 |
Publisher URL | http://pubs.rsc.org/en/Content/ArticleLanding/2013/CE/c3ce40709h#!divAbstract |
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