Crystal structure and Hirshfeld surface analysis of the cocrystal formed between 2,3-di-amino-pyrazine and 2,3,5,6-tetra-fluoro-terephthalic acid

2,3-二氨基吡嗪与2,3,5,6-四氟对苯二甲酸共晶的晶体结构和Hirshfeld表面分析

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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(4)H(7)N(4) (+)·C(8)F(4)O(4) (2-)·C(8)H(2)F(4)O(4), in the triclinic space group P1 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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