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Updated: Sep 9, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
Redetermination of the crystal structure of the 3:1 urea-benzene-1,3,5-tri-carb-oxy-lic acid co-crystal by powder
Mattia Lopresti1, Alessia Dura1, Luca Palin2
1Department of Science and Technological Innovation, University of studies of the Eastern Piedmont "Amedeo Avogadro", viale Teresa Michel 11, 15152, Alessandria, Italy.
Abstract:
The crystal structure of the 3:1 urea-benzene-1,3,5-tri-carb-oxy-lic acid (trimesic acid) co-crystal, C9H6O6·3CH4N2O, has been redetermined by X-ray powder diffraction data exploiting simulated annealing in direct space followed by Rietveld refinement. The compound crystallizes in the monoclinic space group P21/c. The structure consists of hydrogen-bonded assemblies formed by one trimesic acid mol-ecule and three urea mol-ecules. Two urea mol-ecules are approximately coplanar with the aromatic acid mol-ecule, whereas the third is oriented nearly perpendicular to such planes and links adjacent layers into a three-dimensional hydrogen-bonded network. The present study provides a deeper insight of the inter-molecular inter-actions by the means of Hirshfeld surface analysis, and supplies the preparation method and the atomic coordinates of the structure, which were not present in the original work [Videnova-Adrabinska (1996 ▸). J. Mol. Struct. 374, 199-222].
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