Crystal structure of [tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate
Setifi, F., Valkonen, A., Setifi, Z., Nummelin, S., Touzani, R., & Glidewell, C. (2016). Crystal structure of [tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate. Acta Crystallographica Section E : Crystallographic Communications, 72(9), 1246-1250. https://doi.org/10.1107/S2056989016012160
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Date
2016Copyright
© the Authors, 2016. This is an open-access article distributed under the terms of the Creative Commons Attribution Licence.
The title hydrated salt, C30H26N6
2+2C9H5N4O3H2O, was obtained as an
unexpected product from the hydrothermal reaction between potassium 1,1,3,3-
tetracyano-2-ethoxypropenide, 4,40
-bipyridine and iron(II) sulfate heptahydrate.
The cation lies across a twofold rotation axis in the space group I2/a
with the other components all in general positions. In the cation, the H atom
linking the pyridine units is disordered over two adjacent sites having
occupancies of 0.66 (4) and 0.36 (4), i.e. as N—HN and NH—N. The
water molecules of crystallization are each disordered over two sets of atomic
sites, having occupancies of 0.522 (6) and 0.478 (6) for one, and 0.34 (3) and
0.16 (3) for the other, and it was not possible to reliably locate the H atoms
associated with these partial-occupancy sites. In the crystal, four independent
C—HN hydrogen bonds link the ionic components into a three-dimensional
network.
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International Union of CrystallographyISSN Search the Publication Forum
2056-9890Keywords
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