Malathy Sony S M, Kuppayee M, Ponnuswamy M N, Bhasker Reddy D, Padmavathi V, Fun Hoong Kun
Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Acta Crystallogr C. 2002 Nov;58(Pt 11):o678-80. doi: 10.1107/s0108270102017080. Epub 2002 Oct 31.
Due to steric repulsions, the cyclohexane ring in the title compound, C(23)H(24)N(2)O(5).H(2)O, shows some bond-length abnormalities and adopts a chair conformation. The pyrimidine and cyclohexane rings are approximately perpendicular to each other, and the phenyl rings are equatorial. C-H.pi and N-H.O intermolecular interactions, as well as C-H.O inter- and intramolecular interactions, occur between the molecules. In addition to van der Waals interactions, the water molecule interacts with the pyrimidinetrione ring to stabilize the structure.