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The structure of the melamine–cyanuric acid co-crystal

Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.

Authors

Jennifer A. Armstrong

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Dr David Benoit D.Benoit@hull.ac.uk
Senior Lecturer in Molecular Physics and Astrochemistry

Kayleigh L. Marshall



Abstract

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.

Citation

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
Publicly Available Date
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
Copyright Statement The Royal Society of Chemistry 2013