1-Bromomethyl-4-aza-1-azoniabicyclo-[2.2.2]octane bromide

Aaron D. Finke, Danielle L. Gray, Jeffrey S. Moore

Research output: Contribution to journalArticle

Abstract

The title compound, C7H14BrN2 +·Br-, was prepared by nucleophilic substitution of DABCO (systematic name: 1,4-diaza-bicyclo-[2.2.2]octa-ne) with dibromo-methane in acetone. The structure features Br⋯H close contacts (2.79 and 2.90 Å) as well as a weak bromine-bromide inter-action [3.6625 (6) Å].

Original languageEnglish (US)
Pages (from-to)o377
JournalActa Crystallographica Section E: Structure Reports Online
Volume66
Issue number2
DOIs
StatePublished - Feb 22 2010

Fingerprint

Bromine
Methane
octanes
bromine
Acetone
Bromides
acetone
bromides
Substitution reactions
methane
substitutes
octane
triethylenediamine

Keywords

  • Data-to-parameter ratio = 16.2
  • Mean σ(C-C) = 0.007 Å
  • R factor = 0.022
  • Single-crystal X-ray study
  • T = 193 K
  • WR factor = 0.052

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

1-Bromomethyl-4-aza-1-azoniabicyclo-[2.2.2]octane bromide. / Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 66, No. 2, 22.02.2010, p. o377.

Research output: Contribution to journalArticle

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AU - Gray, Danielle L.

AU - Moore, Jeffrey S.

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N2 - The title compound, C7H14BrN2 +·Br-, was prepared by nucleophilic substitution of DABCO (systematic name: 1,4-diaza-bicyclo-[2.2.2]octa-ne) with dibromo-methane in acetone. The structure features Br⋯H close contacts (2.79 and 2.90 Å) as well as a weak bromine-bromide inter-action [3.6625 (6) Å].

AB - The title compound, C7H14BrN2 +·Br-, was prepared by nucleophilic substitution of DABCO (systematic name: 1,4-diaza-bicyclo-[2.2.2]octa-ne) with dibromo-methane in acetone. The structure features Br⋯H close contacts (2.79 and 2.90 Å) as well as a weak bromine-bromide inter-action [3.6625 (6) Å].

KW - Data-to-parameter ratio = 16.2

KW - Mean σ(C-C) = 0.007 Å

KW - R factor = 0.022

KW - Single-crystal X-ray study

KW - T = 193 K

KW - WR factor = 0.052

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