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. 2014 Oct 31;70(Pt 11):o1212-3.
doi: 10.1107/S160053681402354X. eCollection 2014 Nov 1.

Crystal structure of 5-(4,5-di-hydro-1H-imidazol-2-yl)-3-methyl-1-phenyl-1H-pyrazolo-[3,4-b]pyrazin-6-amine

Joel T Mague  1 , Shaaban K Mohamed  2 , Mehmet Akkurt  3 , Talaat I El-Emary  4 , Mustafa R Albayati  5
Affiliations

Crystal structure of 5-(4,5-di-hydro-1H-imidazol-2-yl)-3-methyl-1-phenyl-1H-pyrazolo-[3,4-b]pyrazin-6-amine

Joel T Mague et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C15H15N7, the phenyl ring is inclined by 19.86 (5)° to the mean plane of the pyrazolo-[3,4-b]pyrazine core. In the crystal, N-H⋯N and C-H⋯N hydrogen bonds form [010] chains, which stack via π-π inter-actions [centroid-centroid distance between the pyrazole rings = 3.4322 (7) Å].

Keywords: crystal structure; hydrogen bonding; pyrazolo­[3,4-b]pyrazine; scaffold compounds; π–π inter­actions.

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Figures

Fig. 1.
Fig. 1.
The title molecule with numbering scheme and 50% probability ellipsoids. The intramolecular hydrogen bond is shown as a blue dotted line.
Fig. 2.
Fig. 2.
Plan view of the chain showing N—H···N and C—H···N hydrogen bonds as blue and black dotted lines, respectively.
Fig. 3.
Fig. 3.
Elevation view of two chains showing the π-π interactions as green dotted lines.
Fig. 4.
Fig. 4.
Packing viewed down the a axis.
See this image and copyright information in PMC

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References

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INTERN 1
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