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N-Benzyl-9-isopropyl-9H-purin-6-amine.

ABSTRACT: The asymmetric unit of the title compound, C15H17N5, consists of two mol-ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190?Å) and the benzene ring are 89.21?(3) and 82.14?(4)°. The mol-ecules within the asymmetric unit are linked into dimers by pairs of N-H?N hydrogen bonds. Weak C-H?? contacts and ?-? inter-actions [centroid-centroid = 3.3071?(1)?Å] further connect the mol-ecules into a three-dimensional network.

SUBMITTER: Gergela D

PROVIDER: S-EPMC3685095 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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N-Benzyl-9-isopropyl-9H-purin-6-amine.

Gergela David D Rouchal Michal M Bartoš Peter P Vícha Robert R

Acta crystallographica. Section E, Structure reports online 20130525 Pt 6

The asymmetric unit of the title compound, C15H17N5, consists of two mol-ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190 Å) and the benzene ring are 89.21 (3) and 82.14 (4)°. The mol-ecules within the asymmetric unit are linked into dimers by pairs of N-H⋯N hydrogen bonds. Weak C-H⋯π contacts and π-π inter-actions [centroid-centroid = 3.3071 (1) Å] further connect the mol-ecules into a three-dimensional network. ...[more]

PMID: 23795114

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