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. 2008 Aug 16;64(Pt 9):o1768.
doi: 10.1107/S1600536808025592.

6-Cyclo-hexyl-methyl-2-cyclo-hexyl-sul-fanyl-5-isopropyl-pyrimidin-4(3H)-one

Chun-Sheng Zhang, Da-Xiong Li, De-Hua Zhang, Yan-Ping He, Cong Li

6-Cyclo-hexyl-methyl-2-cyclo-hexyl-sul-fanyl-5-isopropyl-pyrimidin-4(3H)-one

Chun-Sheng Zhang et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C(20)H(32)N(2)OS, was obtained during the course of our investigation on 2-alkylsulfanyl-6-benzyl-3,4-dihydropyrimidin-4(3H)-ones (S-DABOs) showing favourable anti-HIV-1 activity. Both cyclo-hexane rings adopt chair conformations. The angle at the methyl-ene C atom linking the pyrimidine and cyclo-hexane ring is 113.7 (3)°, which is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into dimers and stabilize the crystal structure of the compound. In addition, an intra-molecular C-H⋯O hydrogen bond is observed.

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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.
Fig. 2.
Fig. 2.
The crystal packing of title compound showing the intermolecular hydrogen bonding (dashed lines)
See this image and copyright information in PMC

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