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

被引:7
作者
Rouchal, Michal [1 ]
Necas, Marek [2 ]
de Carvalho, Fabiana Pires [1 ]
Vicha, Robert [1 ]
机构
[1] Tomas Bata Univ Zlin, Dept Chem, Fac Technol, Zlin 76272, Czech Republic
[2] Masaryk Univ, Fac Sci, Dept Chem, Brno 62500, Czech Republic
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2009年 / 65卷
关键词
DEPENDENT KINASE INHIBITOR; OLOMOUCINE-II; PURINES;
D O I
10.1107/S160053680900052X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
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.
引用
收藏
页码:O298 / U1953
页数:19
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