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(E)-5-[1-Hy-droxy-3-(3,4,5-tri-meth-oxy-phen-yl)allyl-idene]-1,3-di-methyl-pyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis.

ABSTRACT: In the title compound, C18H20N2O7, the dihedral angle between the aromatic rings is 7.28?(7)° and the almost planar conformation of the mol-ecule is supported by an intra-molecular O-H?O hydrogen bond, which closes an S(6) ring. In the crystal, weak C-H?O hydrogen bonds and aromatic ?-? stacking link the mol-ecules into a three-dimensional network. A Hirshfeld surface analysis showed that the major contribution to the inter-molecular inter-actions are van der Waals inter-actions (H?H contacts), accounting for 48.4% of the surface.

SUBMITTER: Soto-Monsalve M

PROVIDER: S-EPMC5598848 | biostudies-other | 2017 Jul

REPOSITORIES: biostudies-other

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(E)-5-[1-Hy-droxy-3-(3,4,5-tri-meth-oxy-phen-yl)allyl-idene]-1,3-di-methyl-pyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis.

Soto-Monsalve Mónica M Romero Elkin L EL Zuluaga Fabio F Chaur Manuel N MN D'Vries Richard F RF

Acta crystallographica. Section E, Crystallographic communications 20170718 Pt 8

In the title compound, C18H20N2O7, the dihedral angle between the aromatic rings is 7.28 (7)° and the almost planar conformation of the mol-ecule is supported by an intra-molecular 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 mol-ecules into a three-dimensional network. A Hirshfeld surface analysis showed that the major contribution to the inter-molecular inter-actio ...[more]

PMID: 28932436

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