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

ABSTRACT: 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 ?-stack in a head-to-tail mode with a centroid-centroid separation of 3.7227?(12)?Å and adjacent tetra-fluoro-benzoates also ?-stack in a head-to-tail mode with a centroid-centroid separation of 3.6537?(13)?Å.

SUBMITTER: Bosch E

PROVIDER: S-EPMC6362662 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature

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

Bosch Eric E

Acta crystallographica. Section E, Crystallographic communications 20190131 Pt 2

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 h ...[more]

PMID: 30800468

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