Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2012 Jun 1;68(Pt 6):o1585.
doi: 10.1107/S160053681201879X. Epub 2012 May 2.

2,6-Dichloro-7-isopropyl-7H-purine

Nikola Hloušková, Michal Rouchal, Marek Nečas, Robert Vícha

2,6-Dichloro-7-isopropyl-7H-purine

Nikola Hloušková et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title mol-ecule, C(8)H(8)Cl(2)N(4), the essentially planar imidazole and pyrimidine rings [maximum deviations of 0.0030 (15) and 0.0111 (15) Å, respectively] make a dihedral angle of 1.32 (8)°. In the crystal, the fused-ring systems are stacked approximately parallel to the bc plane, with a centroid-centroid distance between inversion-related pyrimidine rings of 3.5189 (9) Å.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure with 50% probability ellipsoids. H-atoms are shown as small spheres at arbitrary radii.
Fig. 2.
Fig. 2.
Molecules of title compound stacked along the a-axis. H-atoms have been omitted for clarity.
See this image and copyright information in PMC

References

    1. Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
    1. Kotek, V., Chudíková, N., Tobrman, T. & Dvořák, D. (2010). Org. Lett. 12, 5724–5727. - PubMed
    1. Legraverend, M. & Grierson, D. S. (2006). Bioorg. Med. Chem. 14, 3987–4006. - PubMed
    1. Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466–470.
    1. Oumata, M., Bettayeb, K., Ferandin, Y., Demange, L., Lopez-Giral, A., Goddard, M.-L., Myrianthopoulos, V., Mikros, E., Flajolet, M., Greengard, P., Meijer, L. & Galons, H. (2008). J. Med. Chem. 51, 5229–5242. - PubMed