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. 2013 Mar 23;69(Pt 4):o588.
doi: 10.1107/S1600536813007721. Print 2013 Apr 1.

N-(2-Meth-oxy-benz-yl)-9-(oxolan-2-yl)-9H-purin-6-amine

Affiliations

N-(2-Meth-oxy-benz-yl)-9-(oxolan-2-yl)-9H-purin-6-amine

Zdeněk Trávníček et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The title compound, C17H19N5O2, features an almost planar purine skeleton (r.m.s. deviation = 0.009 Å) substituted by a tetra-hydro-furan ring, which adopts an envelope conformation. The purine and benzene rings subtend a dihedral angle of 66.70 (3)°. In the crystal, pairs of N-H⋯N hydrogen bonds connect adjacent mol-ecules into inversion dimers. C-H⋯N, C-H⋯O, C-H⋯π and π-π inter-actions [pyrimidine ring centroid-centroid distance = 3.3909 (1) Å] connect the dimers into a three-dimensional architecture.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with the non-hydrogen atoms depicted as thermal ellipsoids at the 50% probability level and given with the atom numbering scheme.
Fig. 2.
Fig. 2.
Part of the crystal structure, showing the N6—H6···N7 hydrogen bonds (dashed green lines; see Table 1 for parameters), C8—H8···π interactions (dashed orange lines; see Table 1 for C8—H8···Cg parameters) and π—π interactions (dashed orange lines; the Cg—Cgi distance = 3.39090 (10) Å).

References

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