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

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

doi:10.1107/S1600536810000292

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

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

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	o377
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	66
Issue number	2
DOIs	https://doi.org/10.1107/S1600536810000292
State	Published - 2010

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)

Online availability

10.1107/S1600536810000292

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title = "1-Bromomethyl-4-aza-1-azoniabicyclo-[2.2.2]octane bromide",

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 {\AA}) as well as a weak bromine-bromide inter-action [3.6625 (6) {\AA}].",

keywords = "Data-to-parameter ratio = 16.2, Mean σ(C-C) = 0.007 {\AA}, R factor = 0.022, Single-crystal X-ray study, T = 193 K, WR factor = 0.052",

author = "Finke, {Aaron D.} and Gray, {Danielle L.} and Moore, {Jeffrey S.}",

year = "2010",

doi = "10.1107/S1600536810000292",

language = "English (US)",

volume = "66",

pages = "o377",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "2",

}

TY - JOUR

T1 - 1-Bromomethyl-4-aza-1-azoniabicyclo-[2.2.2]octane bromide

AU - Finke, Aaron D.

AU - Gray, Danielle L.

AU - Moore, Jeffrey S.

PY - 2010

Y1 - 2010

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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U2 - 10.1107/S1600536810000292

DO - 10.1107/S1600536810000292

M3 - Article

C2 - 21579799

AN - SCOPUS:76749170284

SN - 1600-5368

VL - 66

SP - o377

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

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

Abstract

Keywords

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