Synthesis, crystal structure and Hirshfeld surface analysis of the two-dimensional hydrogen-bonded network [TCNQ-H2]2+[AsF6]2−

The structure of 2-[4-(di­cyano­meth­yl)cyclo­hexa-2,5-dien-1-yl]propane­bis­(nitrilium) bis­(hexa­fluorido­arsenate), C12H6N42+·2AsF6−, has ortho­rhom­bic (Cmce) 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 [AsF6]− 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.

Publication Details

Journal
Refubium (Universitätsbibliothek der Freien Universität Berlin)
Published
2025-01-01
DOI
https://doi.org/10.17169/refubium-48583
Primary Topic
Geochemistry and Geologic Mapping
Type
article
Field-Weighted Citation Impact
0.00

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article

Synthesis, crystal structure and Hirshfeld surface analysis of the two-dimensional hydrogen-bonded network [TCNQ-H2]2+[AsF6]2−

Refubium (Universitätsbibliothek der Freien Universität Berlin)
Geochemistry and Geologic Mapping
article

Synthesis, crystal structure and Hirshfeld surface analysis of the two-dimensional hydrogen-bonded network [TCNQ-H2]2+[AsF6]2−

article en

Abstract

The structure of 2-[4-(di­cyano­meth­yl)cyclo­hexa-2,5-dien-1-yl]propane­bis­(nitrilium) bis­(hexa­fluorido­arsenate), C12H6N42+·2AsF6−, has ortho­rhom­bic (Cmce) 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 [AsF6]− 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.

Refubium (Universitätsbibliothek der Freien Universität Berlin)
Deutsche Forschungsgemeinschaft
Openalex Percentile: Top 64%
Geochemistry and Geologic Mapping
DOIOpen Access PDFOpenAlex
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Synthesis, crystal structure and Hirshfeld surface analysis of the two-dimensional hydrogen-bonded network [TCNQ-H2]2+[AsF6]2− · Refubium (Universitätsbibliothek der Freien Universität Berlin) (2025) | TGRS Research Map | TGRS