3-Carboxy-5-(pyridinium-4-yl)benzoate: a redetermination
2011
Redetermination of 3-Carboxy-5-(pyridinium-4-yl)benzoate Structure
publication
Evidence: moderate
Author Information
Author(s): Li Shi-Jie, Miao Dong-Liang, Song Wen-Dong, Tong Shao-Wei
Primary Institution: Guangdong Ocean University
Hypothesis
The previous report incorrectly stated that neither of the carboxylate groups is deprotonated.
Conclusion
The study confirms that the title compound crystallizes in a zwitterionic form with one carboxyl OH group deprotonated.
Supporting Evidence
- The title compound crystallizes in a zwitterionic form.
- The benzene and pyridinium rings are inclined at an angle of 31.42°.
- Hydrogen bonding interactions link adjacent molecules into a three-dimensional network.
Takeaway
This study looks at a chemical compound and shows that it has a special structure where part of it is positively charged and part is negatively charged.
Methodology
The compound was purified and analyzed using X-ray crystallography.
Digital Object Identifier (DOI)
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