Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2014 Jan 18;70(Pt 2):o154.
doi: 10.1107/S1600536814000610. eCollection 2014 Feb 1.

1,4-Di-aza-bicyclo-[2.2.2]octane-1,4-diium bis-(3-chloro-benzoate)

Zi-Shuo Yao  1 , Osamu Sato  1
Affiliations

1,4-Di-aza-bicyclo-[2.2.2]octane-1,4-diium bis-(3-chloro-benzoate)

Zi-Shuo Yao et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title salt C6H14N2 (2+)·2C7H4ClO2 (-), two 3-chloro-benzoate (3CBA) anions are bridged by one diprotonated 1,4-di-aza-bicyclo-[2.2.2]octane-1,4-diium (H2DABCO(2+)) dication through N-H⋯O hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87 (9)°. The trimeric units are linked into a three-dimensional network via weak C-H⋯O inter-actions.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
Displacement ellipsoid plot (50% probability level) of the trimer unit. The dashed lines indicate intermolecular N–H···O hydrogen bonds.
Fig. 2.
Fig. 2.
Packing diagram of the title compound viewed along the a axis. The dashed lines indicate intermolecular N–H···O hydrogen bonds forming trimer units. H atoms not involved hydrogen bonding have been omitted for clarity.
See this image and copyright information in PMC

References

    1. Arman, H. D., Kaulgud, T. & Tiekink, E. R. T. (2011). Acta Cryst. E67, o2933. - PMC - PubMed
    1. Burchell, C. J., Glidewell, C., Lough, A. J. & Ferguson, G. (2001). Acta Cryst. B57, 201–212. - PubMed
    1. Meehan, P. R., Ferguson, G., Glidewell, C. & Patterson, I. L. J. (1997). Acta Cryst. C53, 628–631.
    1. Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.
    1. Rosli, M. M., Fun, H.-K., Lee, B. S. & Chantrapromma, S. (2006). Acta Cryst. E62, o4575–o4577.