Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-diaminopyrazine and 2,3,5,6-tetrafluoroterephthalic acid

The cocrystal formed between 2,3-di-amino-pyrazine and 2,3,5,6-tetra-fluoro-phthalic acid, crystallizes as the solvated salt bis-(2,3-di-amino-pyrazin-1-ium) 2,3,5,6-tetra-fluoro-phthalate-2,3,5,6-tetra-fluoro-phthalic acid (1/1), 2C<sub>4</sub>H<sub>7</sub>N<sub>4</sub> <sup>+</sup>·C<sub>8</sub>F<sub>4</sub>O<sub>4</sub> <sup>2-</sup>·C<sub>8</sub>H<sub>2</sub>F<sub>4</sub>O<sub>4</sub>, in the triclinic space group <i>P</i>1 with one unique protonated 2,3-di-amino-pyrazinium cation, one half a tetra-fluoro-phthalic acid mol-ecule and one half of a tetra-fluoro-phthalate anion. The cocrystal forms a supra-molecular network with cooperative neutral and charge-assisted hydrogen bonding. In this, the linear network of alternating pyrazinium and tetra-fluoro-phenyl moieties is crosslinked through bifurcated hydrogen bonds of two amino H atoms and a carboxyl oxygen to form a corrugated two-dimensional network.

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2026-02-24
DOI
https://doi.org/10.1107/s2056989026001581
Primary Topic
Crystallography and molecular interactions
Type
article
Field-Weighted Citation Impact
0.00

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article

Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-diaminopyrazine and 2,3,5,6-tetrafluoroterephthalic acid

Eric Bosch
Acta Crystallographica Section E Crystallographic Communications
Crystallography and molecular interactions
article

Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-diaminopyrazine and 2,3,5,6-tetrafluoroterephthalic acid

Eric Bosch
article en

Abstract

The cocrystal formed between 2,3-di-amino-pyrazine and 2,3,5,6-tetra-fluoro-phthalic acid, crystallizes as the solvated salt bis-(2,3-di-amino-pyrazin-1-ium) 2,3,5,6-tetra-fluoro-phthalate-2,3,5,6-tetra-fluoro-phthalic acid (1/1), 2C<sub>4</sub>H<sub>7</sub>N<sub>4</sub> <sup>+</sup>·C<sub>8</sub>F<sub>4</sub>O<sub>4</sub> <sup>2-</sup>·C<sub>8</sub>H<sub>2</sub>F<sub>4</sub>O<sub>4</sub>, in the triclinic space group <i>P</i>1 with one unique protonated 2,3-di-amino-pyrazinium cation, one half a tetra-fluoro-phthalic acid mol-ecule and one half of a tetra-fluoro-phthalate anion. The cocrystal forms a supra-molecular network with cooperative neutral and charge-assisted hydrogen bonding. In this, the linear network of alternating pyrazinium and tetra-fluoro-phenyl moieties is crosslinked through bifurcated hydrogen bonds of two amino H atoms and a carboxyl oxygen to form a corrugated two-dimensional network.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 82(3)
Missouri State University (US)
National Science Foundation, Division of Chemistry
Openalex Percentile: Top 44%
Crystallography and molecular interactions
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