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2-(Adamantan-1-yl)-1,3-bis-(4-methyl-phen-yl)propan-2-ol.

ABSTRACT: The conformation of the title compound, C27H34O, is stabilized by a weak intra-molecular C-H?? inter-action. The dihedral angle between the benzene rings is 54.79?(4)°. The adamantane cage consists of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 107.75?(10)-111.35?(9)°. Although the mol-ecule contains a hy-droxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed in the crystal structure.

SUBMITTER: Babjakova E 

PROVIDER: S-EPMC3588353 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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2-(Adamantan-1-yl)-1,3-bis-(4-methyl-phen-yl)propan-2-ol.

Babjaková Eva E   Bartoš Peter P   Vícha Robert R  

Acta crystallographica. Section E, Structure reports online 20121219 Pt 1

The conformation of the title compound, C27H34O, is stabilized by a weak intra-molecular C-H⋯π inter-action. The dihedral angle between the benzene rings is 54.79 (4)°. The adamantane cage consists of three fused cyclo-hexane rings in classical chair conformations, with C-C-C angles in the range 107.75 (10)-111.35 (9)°. Although the mol-ecule contains a hy-droxy group as a conceivable hydrogen-bond donor, this group is sterically hindered by bulky substituents and no hydrogen bonds are observed  ...[more]

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