Crystal structure of 6-chloro-5-isopropylpyrimidine- 2,4(1H,3H)-dione

In the molecule of the title compound, C7H9ClN2O2, the conformation is determined by intramolecular C-H� � �O and C-H� � �Cl hydrogen bonds, which generate S(6) and S(5) ring motifs. The isopropyl group is almost perpendicular to the pyrimidine ring with torsion angles of �70.8 (3) and 56.0 (3)�. In...

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Bibliographic Details
Main Authors: Haress, Nadia G. (Author), Ghabbour, Hazem A. (Author), El-Emam, Ali A. (Author), C. S., Chidan Kumar (Author), Fun, Hoong Kun (Author)
Format: Article
Language:English
Published: International Union of Crystallography, 2014.
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Summary:In the molecule of the title compound, C7H9ClN2O2, the conformation is determined by intramolecular C-H� � �O and C-H� � �Cl hydrogen bonds, which generate S(6) and S(5) ring motifs. The isopropyl group is almost perpendicular to the pyrimidine ring with torsion angles of �70.8 (3) and 56.0 (3)�. In the crystal, two inversion-related molecules are linked via a pair of N-H� � �O hydrogen bonds into R2 2(8) dimers; these dimers are connected into chains extending along the bc plane via an additional N-H� � �O hydrogen bond and weaker C- H� � �O hydrogen bonds. The crystal structure is further stabilized by a weak �-� interaction [3.6465 (10) A ° ] between adjacent pyrimidine-dione rings arranged in a head-to-tail fashion, producing a three-dimensional network.