Acta Cryst. (2009). E65, o298-o299  [ doi:10.1107/S160053680900052X ]

2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone

M. Rouchal, M. Necas, F. P. de Carvalho and R. Vícha

Abstract: The structure of the title compound, C₂₇H₃₂ClN₅O, 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 cyclohexane 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 intermolecular N-HN interactions that link adjacent molecules into dimers and by some non-bonding contacts of the C-HCl type.

Online 14 January 2009

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