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Pyridinium 3-nitro-benzoate-3-nitro-benzoic acid (1/1).

ABSTRACT: The crystal structure of the product of the neutralization reaction between 3-nitro-benzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C₅H₆N⁺·C₇H₄NO₄ ^-·C₇H₅NO₄. Distinct sets of hydrogen bonds link the pyridinium and benzoate ions (N-H⋯O) and the acid and benzoate moieties (O-H⋯O). The hydrogen bonding along with π-π stacking between the acid and benzoate moieties accounts for the long-range ordering of the crystal.

SUBMITTER: Howarth A

PROVIDER: S-EPMC9462344 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature

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Pyridinium 3-nitro-benzoate-3-nitro-benzoic acid (1/1).

Howarth Alexis A Barbosa Tony J TJ Zeller Matthias M Hillesheim Patrick C PC

IUCrData 20210615 Pt 6

The crystal structure of the product of the neutralization reaction between 3-nitro-benzoic acid and pyridine is reported. The entities that crystallized are a pyridinium cation, a 3-nitrobenzoate anion and a 3-nitrobenzoic acid molecule in a 1:1:1 molar ratio, C5H6N+·C7H4NO4 -·C7H5NO4. Distinct sets of hydrogen bonds link the pyridinium and benzoate ions (N-H⋯O) and the acid and benzoat ...[more]

PMID: 36337319

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