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. 2011 Jan 29;67(Pt 2):o534.
doi: 10.1107/S1600536811003175.

6-Cyclo-hexyl-meth-yl-5-ethyl-2-[(2-oxo-2-phenyl-eth-yl)sulfan-yl]pyrimidin-4(3H)-one

Wan-Lu Yan, Qiong Guo, Cong Li, Xiao-Ying Ji, Yan-Ping He

6-Cyclo-hexyl-meth-yl-5-ethyl-2-[(2-oxo-2-phenyl-eth-yl)sulfan-yl]pyrimidin-4(3H)-one

Wan-Lu Yan et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(21)H(26)N(2)O(2)S, the cyclo-hexane ring adopts a chair conformation. The angle at the methyl-ene bridge linking the pyrimidine and cyclo-hexane rings is 113.41 (13)°. This is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. In the crystal, mol-ecules are connected into centrosymmetric dimers via pairs of N-H⋯O hydrogen bonds.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, showing the atom labelling scheme and 30% probability displacement ellipsoids.
See this image and copyright information in PMC

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