Crystal structure of [tris­(4,4′-bi­pyridine)]­diium bis­(1,1,3,3-tetra­cyano-2-eth­oxy­propenide) trihydrate

Acta Crystallographica Section E: Crystallographic Communications

Nummelin, S.¹  Valkonen, A.²  Glidewell, C.³  Touzani, R.⁴  Setifi, Z.⁵  Setifi, F.⁵ 

[1] Biohybrid Materials, Department of Biotechnology and Chemical Technology, Aalto University, FI-02150 Espoo, Finland;Department of Chemistry, University of Jyvaskyla, PO Box 35, FI-40014 Jyvaskyla, Finland;Faculté Pluridisciplinaire Nador BP 300, Selouane, 62702, Nador, Morocco;Laboratoire de Chimie Appliquée et Environnement, LCAE–URAC18, COSTE, Faculté des Sciences, Université Mohamed Premier, BP 524, 60000, Oujda, Morocco;Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria

关键词: CRYSTAL STRUCTURE;    HYDROTHERMAL SYNTHESIS;    POLYNITRILE ANIONS;    MOLECULAR STRUCTURE;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989016012160

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY