Crystal structure of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate

Abstract

The asymmetric unit of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate, C 5 H 6 BrN 2 + ·C 7 HF 4 O 2 -, contains one pyridinium cation and one benzoate anion. In the crystal, the aminopyridinium 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 carboxylate O with a second R 2 2 (8) motif to form a discrete hydrogen-bonded complex containing two 2-amino-6-bromopyridinium moieties and two 2,3,5,6-tetrafluorobenzoate moieties. The 2-amino-6-bromopyridinium moieties π-stack in a head-to-tail mode with a centroid-centroid separation of 3.7227 (12) Å and adjacent tetrafluorobenzoates also π-stack in a head-to-tail mode with a centroid-centroid separation of 3.6537 (13) Å.

Department(s)

Chemistry and Biochemistry

Document Type

Article

DOI

https://doi.org/10.1107/S2056989019001294

Keywords

2, 3, 5, 6-tetrafluorobenzoic acid, 2-amino-6-bromopyridine, 2-amino-6-pyridinium 2, 3, 5, 6-tetrafluorobenzoate, crystal structure, hydrogen bond

Publication Date

1-1-2019

Journal Title

Acta Crystallographica Section E: Crystallographic Communications

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