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9-(1,1-Dimethyl-3-oxobut-yl)adenine. | LitMetric

9-(1,1-Dimethyl-3-oxobut-yl)adenine.

Acta Crystallogr Sect E Struct Rep Online

Published: September 2010

The title compound, C(11)H(15)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit, both of which contain essentially planar imidazole and pyrimidine rings [maximum deviations = 0.002 (2) and 0.026 (2) Å, respectively, for the first mol-ecule, and 0.001 (2) and 0.025 (2) Å for the second]; the dihedral angles between the rings are 2.1 (2) and 1.7 (2)° in the two mol-ecules. The crystal structure is stabilized by inter-molecular N-H⋯N hydrogen bonds, defining chains along a, which are further linked by weak inter-molecular π-π contacts [centroid centroid distance = 3.7989 (16) Å] into planes parallel to (01).

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983190PMC
http://dx.doi.org/10.1107/S1600536810034628DOI Listing

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