Synthesis, crystal structure and Hirshfeld surface analysis of the two-dimensional hydrogen-bonded network [TCNQ-H<sub>2</sub>]<sup>2+</sup>[AsF<sub>6</sub>]<sub>2</sub> <sup>−</sup>
The structure of 2-[4-(di-cyano-meth-yl)cyclo-hexa-2,5-dien-1-yl]propane-bis-(nitrilium) bis-(hexa-fluorido-arsenate), C<sub>12</sub>H<sub>6</sub>N<sub>4</sub> <sup>2+</sup>·2AsF<sub>6</sub> <sup>-</sup>, has ortho-rhom-bic (<i>Cmce</i>) symmetry. The compound exhibits a layer structure, which is formed by hydrogen bonds between the semi-protonated nitrile groups. Unexpectedly, no H⋯F contacts are observed. Instead, the [AsF<sub>6</sub>]<sup>-</sup> anions show C⋯F contacts to the positively polarized carbon atoms of the dication with distances in the range 2.871 (2)-3.154 (2) Å.
Authors
- Malte Sellin (ORCID: https://orcid.org/0000-0003-0424-2261)
- Susanne M. Rupf (ORCID: https://orcid.org/0000-0002-1577-1743)
- Moritz Malischewski (ORCID: https://orcid.org/0000-0002-6756-2951)
Institutions
- Freie Universität Berlin (DE)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-08-11
- DOI
- https://doi.org/10.1107/s2056989025007108
- Primary Topic
- Organic and Molecular Conductors Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Deutsche Forschungsgemeinschaft