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(1-Adamant-yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh-yl]phen-yl}methanone trichloro-methane solvate.

ABSTRACT: In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol-ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010?(4)?Å for both ring systems] forming a dihedral angle of 85.52?(9)°. Inter-molecular N-H?N hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. The structure also contains inter-molecular C-H?O and C-H?N inter-actions. The benzene rings form offset face-to-face ?-? stacking inter-actions with an inter-planar distance of 3.541?(4)?Å and a centroid-to-centroid distance of 4.022?(4)?Å.

SUBMITTER: Rouchal M 

PROVIDER: S-EPMC2969555 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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(1-Adamant-yl){4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminometh-yl]phen-yl}methanone trichloro-methane solvate.

Rouchal Michal M   Nečas Marek M   Vícha Robert R  

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

In the title compound, C(26)H(30)ClN(5)O·CHCl(3), the purine mol-ecule consists of essentially planar benzene and purine ring systems [maximum deviation 0.010 (4) Å for both ring systems] forming a dihedral angle of 85.52 (9)°. Inter-molecular N-H⋯N hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. The structure also contains inter-molecular C-H⋯O and C-H⋯N inter-actions. The benzene rings form offset face-to-face π-π stacking inter-actions with an inter-planar distance of 3.5  ...[more]

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