Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 5 (May 2009)


organic compounds



Acta Cryst. (2009). C65, o226-o228    [ doi:10.1107/S0108270109005277 ]

N,N'-Dimethylpyrazinediium bis(tetrafluoroborate) and N,N'-diethylpyrazinediium bis(tetrafluoroborate): new examples of anion-[pi] triads

J. Lu, A. S. Jalilov and J. K. Kochi

Abstract: Crystallization of N,N'-dimethylpyrazinediium bis(tetrafluoroborate), C6H10N22+·2BF4-, (I), and N,N'-diethylpyrazinediium bis(tetrafluoroborate), C8H14N22+·2BF4-, (II), from dried acetonitrile under argon protection has permitted their single-crystal studies. In both crystal structures, the pyrazinediium dications are located about an inversion center (located at the ring center) and each pyrazinediium aromatic ring is [pi]-bonded to two centrosymmetrically related BF4- anions. Strong anion-[pi] interactions, as well as weak C-H...F hydrogen bonds, between BF4- and pyrazinediium ions are present in both salts.

Formula: C6H10N22+·2BF4- and C8H14N22+·2BF4-


hkldisplay filedownload file

Structure factor file (CIF format) (79.7 kbytes)
[ doi:10.1107/S0108270109005277/gg3186Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (98.4 kbytes)
[ doi:10.1107/S0108270109005277/gg3186IIsup3.hkl ]
Contains datablock II


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