Publication details
2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone
| Authors | |
|---|---|
| Year of publication | 2009 |
| Type | Article in Periodical |
| Magazine / Source | Acta Crystallographica Section E: Structure Reports Online |
| MU Faculty or unit | |
| Citation | |
| Web | http://journals.iucr.org/e/issues/2009/02/00/pk2141/index.html |
| Field | Organic chemistry |
| Keywords | DEPENDENT KINASE INHIBITOR; OLOMOUCINE-II; PURINES |
| Description | 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) angstrom, respectively], the dihedral angles between them being 76.44 (6) and 82.39 (6)degrees, 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)degrees. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)degrees in the two conformers]. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot N interactions that link adjacent molecules into dimers and by some non-bonding contacts of the C-H center dot center dot center dot Cl type. |