Haress, Nadia G. and Ghabbour, Hazem A. and El-Emam, Ali A. and C. S., Chidan Kumar and Fun, Hoong Kun
(2014)
Crystal structure of 6-chloro-5-isopropylpyrimidine-
2,4(1H,3H)-dione.
Acta Crystallographica Section E: Structure Reports Online, 70.
pp. 1144-1145.
ISSN 1600-5368
Abstract
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.
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