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. 2009 Mar 6;65(Pt 4):o684.
doi: 10.1107/S1600536809007612.

2-Amino-4-(4-bromo-phen-yl)-8-trifluoro-methyl-3,4-dihydropyrimido[1,2-a][1,3,5]triazin-6(5H)-one

Anton V Dolzhenko, Nikhil Sachdeva, Geok Kheng Tan, Lip Lin Koh, Wai Keung Chui

2-Amino-4-(4-bromo-phen-yl)-8-trifluoro-methyl-3,4-dihydropyrimido[1,2-a][1,3,5]triazin-6(5H)-one

Anton V Dolzhenko et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053 (3) and 0.012 (3) Å], while the triazine rings adopt flattened half-boat conformations with the p-bromo-phenyl rings in the flagpole positions. The crystal packing is stabilized by a three-dimensional network of inter-molecular N-H⋯N, N-H⋯O and N-H⋯F hydrogen bonds.

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Figures

Fig. 1.
Fig. 1.
The synthesis of 2-amino-4-(4-bromophenyl)-8-trifluoromethyl-3,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Fig. 2.
Fig. 2.
Tautomerism in the title compound
Fig. 3.
Fig. 3.
The molecular structure of 2-amino-4-(4-bromophenyl)-8-trifluoromethyl-3,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one with the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 4.
Fig. 4.
Molecular parking in the crystal, viewed along the a axis. Hydrogen bonds are shown as dashed lines.
See this image and copyright information in PMC

References

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    1. Dolzhenko, A. V., Tan, G. K., Koh, L. L., Dolzhenko, A. V. & Chui, W. K. (2007). Acta Cryst. E63, o2796.
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