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The title salt, C 4 H 6 N 3 O 2 + ·Cl − , exhibits multiple hydrogen-bonding interactions involving the nitroimidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H...Cl interactions, the central aromatic hydrogen atom displays a shorter interaction than the other aromatic hydrogen atom. Finally, interactions are observed between the nitro moiety and methyl H atoms. While no π–π stacking is observed, anion-π interactions are present. The crystal was refined as a two-component twin.
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Pyridinium 3-nitrobenzoate–3-nitrobenzoic acid (1/1)
The crystal structure of the product of the neutralization reaction between 3-nitrobenzoic 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, C 5 H 6 N + ·C 7 H 4 NO 4 − ·C 7 H 5 NO 4 . 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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- Award ID(s):
- 1919785
- PAR ID:
- 10275399
- Date Published:
- Journal Name:
- IUCrData
- Volume:
- 6
- Issue:
- 6
- ISSN:
- 2414-3146
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1107/S2414314621005812
