1. 2-(3-Benzoyl-1-pyridinio)-3,4-dioxo-cyclobutenolate.
- Author
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Kolev, Tsonko, Yancheva, Denitsa, Shivachev, Boris, Petrova, Rosica, and Spiteller, Michael
- Subjects
ORGANIC compounds ,CHEMICAL structure ,PYRIDINIUM compounds ,MOLECULAR structure ,HYDROGEN bonding ,DENSITY functionals - Abstract
The title compound, C
16 H9 NO4 , also known as the 3-benzoylpyridinium betaine of squaric acid, exhibits a dipolar electronic ground-state structure with a positively charged pyridinium fragment and a negatively charged squarate moiety. In the molecule, the two aromatic rings are twisted by 56.03 (2)° relative to one another. The three-dimensional packing of the molecules is stabilized by C—H··O· short contacts. [ABSTRACT FROM AUTHOR]- Published
- 2005
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