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Title: (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis
Authors: Soto-Monsalve, Mónica
Romero, Elkin L.
Zuluaga, Fabio
Chaur, Manuel N.
D’Vries, Richard F.
Keywords: crystal structure;Hirshfeld surface;supramolecular structure;allylidene
Issue Date: 2017
Publisher: Acta Crystallographica Section E: Structure Reports Online
Abstract: In the title compound, C 18 H 20 N 2 O 7 , the dihedral angle between the aromatic rings is 7.28 (7)° and the almost planar conformation of the molecule is supported by an intramolecular O—H...O hydrogen bond, which closes an S (6) ring. In the crystal, weak C—H...O hydrogen bonds and aromatic π–π stacking link the molecules into a three-dimensional network. A Hirshfeld surface analysis showed that the major contribution to the intermolecular interactions are van der Waals interactions (H...H contacts), accounting for 48.4% of the surface.
ISSN: 1600-5368
Appears in Collections:Producción Científica

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