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1-Bromo-2,4,6-tricyclo-hexyl-benzene.

ABSTRACT: The title compound, C(24)H(25)Br, packs efficiently in the crystal structure with no solvent-accessible voids and several inter-molecular H?H contacts approximating the sum of the van der Waals radii. The mol-ecule is quite crowded, with intra-molecular Br?H and C?H contacts ca 0.38 and 0.30?Å, respectively, less than the sum of the corresponding van der Waals radii. All cyclo-hexyl rings adopt chair conformations with the 'seat' of the chair inclined at approximately 57-81° to the mean plane of the benzene ring, while those ortho to bromine have their centroids displaced in opposite directions from this plane.

SUBMITTER: Mague JT

PROVIDER: S-EPMC2915376 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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1-Bromo-2,4,6-tricyclo-hexyl-benzene.

Mague Joel T JT Linhardt Lisa L Medina Iliana I Fink Mark J MJ

Acta crystallographica. Section E, Structure reports online 20071221 Pt 1

The title compound, C(24)H(25)Br, packs efficiently in the crystal structure with no solvent-accessible voids and several inter-molecular H⋯H contacts approximating the sum of the van der Waals radii. The mol-ecule is quite crowded, with intra-molecular Br⋯H and C⋯H contacts ca 0.38 and 0.30 Å, respectively, less than the sum of the corresponding van der Waals radii. All cyclo-hexyl rings adopt chair conformations with the 'seat' of the chair inclined at approximately 57-81° to the mean plane of ...[more]

PMID: 21200896

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