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Pyridinium 3-nitro-benzoate-3-nitro-benzoic acid (1/1)
Alexis Howarth1, Tony J Barbosa1, Matthias Zeller2
1Ave Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria FL, 34142, USA.
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.
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