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2-(1-Adamant-yl)-4-bromo-anisole at 123?K.

ABSTRACT: IN THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(1-adamantyl)-4-bromo-1--methoxy-benzene], C(17)H(21)BrO, two weak intra-molecular C-H?O hydrogen bonds influence the mol-ecular conformation. The crystal packing exhibits C-H?? inter-actions, with a relatively short inter-molecular C?Cg contact of 3.568?(5)?Å, where Cg is the centroid of the benzene ring. The crystal studied exhibited inversion twinning.

SUBMITTER: Cheng XW

PROVIDER: S-EPMC2961646 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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2-(1-Adamant-yl)-4-bromo-anisole at 123 K.

Cheng Xiang-Wei XW

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 2-(1-adamantyl)-4-bromo-1--methoxy-benzene], C(17)H(21)BrO, two weak intra-molecular C-H⋯O hydrogen bonds influence the mol-ecular conformation. The crystal packing exhibits C-H⋯π inter-actions, with a relatively short inter-molecular C⋯Cg contact of 3.568 (5) Å, where Cg is the centroid of the benzene ring. The crystal studied exhibited inversion twinning. ...[more]

PMID: 21202851

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