Title of article :
Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate
Author/Authors :
Setifi, Fatima Laboratoire de Chimie - Ingénierie Moléculaire et Nanostructures (LCIMN) - Université Ferhat Abbas Sétif 1,Algeria , Valkonen, Arto Department of Chemistry - University of Jyvaskyla, Finland , Setifi, Zouaoui Laboratoire de Chimie - Ingénierie Moléculaire et Nanostructures (LCIMN) - Université Ferhat Abbas Sétif 1,Algeria , Nummelin, Sami Biohybrid Materials - Department of Biotechnology and Chemical Technology, Aalto University, Finland , Touzani, Rachid Laboratoire de Chimie Appliquée et Environnement - LCAE–URAC18, COSTE, Faculté des Sciences - Université Mohamed Premier, Morocco , Glidewellf, Christopher School of Chemistry - University of St Andrews, Fife KY16 9ST, Scotland
Abstract :
The title hydrated salt, C30H26N62+·2C9H5N4O−·3H2O, was obtained as an unexpected product from the hydrothermal reaction between potassium 1,1,3,3-tetracyano-2-ethoxypropenide, 4,4′-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—H⋯N and N⋯H—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—H⋯N hydrogen bonds link the ionic components into a three-dimensional network.
Keywords :
crystal structure , hydrogen bonding , molecular structure , polynitrile anions , hydrothermal synthesis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
