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6-(3,5-Dimeth-oxy-benzyl-amino)-9-(oxan-2-yl)-9H-purine.

ABSTRACT: The mol-ecule of the title compound, C19H23N5O3, contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01?Å). In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers. The dimers are linked via C-H?O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C-H?? and parallel slipped ?-? inter-actions [centroid-centroid distance = 3.467?(1)?Å; slippage 0.519?Å], forming a three-dimensional network.

SUBMITTER: Starha P 

PROVIDER: S-EPMC3629587 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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6-(3,5-Dimeth-oxy-benzyl-amino)-9-(oxan-2-yl)-9H-purine.

Starha Pavel P   Popa Igor I   Dvořák Zdeněk Z   Trávníček Zdeněk Z  

Acta crystallographica. Section E, Structure reports online 20130313 Pt 4

The mol-ecule of the title compound, C19H23N5O3, contains six-membered pyrimidine and five-membered imidazole rings merged into the essentially planar purine skeleton (r.m.s. deviation = 0.01 Å). In the crystal, pairs of N-H⋯N hydrogen bonds link mol-ecules into inversion dimers. The dimers are linked via C-H⋯O hydrogen bonds, forming double-stranded chains propagating along [001]. These chains are linked via C-H⋯π and parallel slipped π-π inter-actions [centroid-centroid distance = 3.467 (1) Å;  ...[more]

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