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4-(1-Adamantylmeth-yl)-N-(2-chloro-9-isopropyl-9H-purin-6-yl)aniline.

ABSTRACT: The asymmetric unit of the title compound, C(25)H(30)ClN(5), consists of two mol-ecules with slightly different geometrical parameters. The dihedral angles between the purine and benzene rings are 39.54?(5) and 23.69?(5)° in the two mol-ecules. The adamantane cages consist of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 108?(2)-111?(2)°. In the crystal, mol-ecules are linked into dimers via two N-H?N hydrogen bonds.

SUBMITTER: Rouchal M

PROVIDER: S-EPMC2969425 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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4-(1-Adamantylmeth-yl)-N-(2-chloro-9-isopropyl-9H-purin-6-yl)aniline.

Rouchal Michal M Nečas Marek M Vícha Robert R

Acta crystallographica. Section E, Structure reports online 20090624 Pt 7

The asymmetric unit of the title compound, C(25)H(30)ClN(5), consists of two mol-ecules with slightly different geometrical parameters. The dihedral angles between the purine and benzene rings are 39.54 (5) and 23.69 (5)° in the two mol-ecules. The adamantane cages consist of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 108 (2)-111 (2)°. In the crystal, mol-ecules are linked into dimers via two N-H⋯N hydrogen bonds. ...[more]

PMID: 21582935

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