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. 2021 Jun 15;6(Pt 6):x210581.
doi: 10.1107/S2414314621005812. eCollection 2021 Jun.

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

Alexis Howarth  1 , Tony J Barbosa  1 , Matthias Zeller  2 , Patrick C Hillesheim  1
Affiliations

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

Alexis Howarth et al. IUCrdata. .

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.

Keywords: carboxyl­ate; carb­oxy­lic acid; crystal structure; hydrogen bonding.

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Figures

Figure 1
Figure 1
The asymmetric unit of the structure with 50% probability ellipsoids and hydrogen bonds indicated by red dotted lines.
Figure 2
Figure 2
Packing diagram of the title compound viewed from the (100) face.
Figure 3
Figure 3
Depiction of the π inter­actions in the title structure. Lines in green display multiple close points of contact between the aromatic rings. Distances in Å.
See this image and copyright information in PMC

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