9-(1,1-Dimethyl-3-oxobutyl)adenine

The title compound, C11H15N5O, crystallizes with two independent molecules 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 fir...

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Bibliographic Details
Main Authors: Jingya Ma, Huiyan Li, Mingshu Wu, Dulin Kong
Format: Article
Language:English
Published: International Union of Crystallography 2010-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810034628
Description
Summary:The title compound, C11H15N5O, crystallizes with two independent molecules 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 molecule, 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 molecules. The crystal structure is stabilized by intermolecular N—H...N hydrogen bonds, defining chains along a, which are further linked by weak intermolecular π–π contacts [centroid centroid distance = 3.7989 (16) Å] into planes parallel to (01overline{1}).
ISSN:1600-5368