2-(1-Adamant-yl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)amino-meth-yl]phen-yl}ethanone.

ABSTRACT: The structure of the title compound, C(27)H(32)ClN(5)O, consists of two crystallographically independent conformers differing slightly in all geometric parameters. Both contain nearly planar purine and benzene ring systems [maximum deviations of 0.046?(3) and 0.005?(2)?Å, respectively], the dihedral angles between them being 76.44?(6) and 82.39?(6)°, and an adamantane cage consisting of three fused cyclo-hexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.7?(2)-110.6?(2)°. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43?(9) and 0.64?(8)° in the two conformers]. The crystal structure is stabilized by inter-molecular N-H?N inter-actions that link adjacent mol-ecules into dimers and by some non-bonding contacts of the C-H?Cl type.

SUBMITTER: Rouchal M 

PROVIDER: S-EPMC2968337 | biostudies-other | 2009

REPOSITORIES: biostudies-other