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Crystal structure of the co-crystal salt 2-amino-6-bromo-pyridinium 2,3,5,6-tetra-fluoro-benzoate.

Eric Bosch
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
The asymmetric unit of the co-crystal salt 2-amino-6-bromo-pyridinium 2,3,5,6-tetra-fluoro-benzoate, C5H6BrN2 +·C7HF4O2 -, contains one pyridinium cation and one benzoate anion. In the crystal, the amino-pyridinium cationic unit forms two hydrogen bonds to the benzoate oxygen atoms in an R 2 2(8) motif. Two pyridinium benzoate units are hydrogen bonded through self-complementary hydrogen bonds between the second amine hydrogen and a carboxyl-ate O with a second R 2 2(8) motif to form a discrete hydrogen-bonded complex containing two 2-amino-6-bromo-pyridinium moieties and two 2,3,5,6-tetra-fluoro-benzoate moieties. The 2-amino-6-bromo-pyridinium moieties π-stack in a head-to-tail mode with a centroid-centroid separation of 3.7227 (12) Å and adjacent tetra-fluoro-benzoates also π-stack in a head-to-tail mode with a centroid-centroid separation of 3.6537 (13) Å.
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