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The structure of 1-phenyl-3-benzoylamino-4-benzoylpyrazol-2-in-5-one |
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| Authors: | Olga N Kataeva Aidar T Gubaidullin Igor A Litvinov Olga A Lodochnikova Lenar R Islamov Alexander I Movchan and Galina A Chmutova |
| Institution: | a A.E. Arbuzov Institute of Organic and Physical Chemistry, Russian Academy of Sciences, A.E. Arbuzov str. 8, Kazan 420088, Russian Federation b Kazan State University, Kremlevskaya 18, Kazan 420008, Russian Federation |
| Abstract: | Crystal and molecular structure of 1-phenyl-3-benzoylamino-4-benzoylpyrazol-2-in-5-one as a product of the benzoylation of 1-phenyl-3-benzoylaminopyrazol-2-in-5-one was characterised by X-ray single crystal diffraction. It is shown that 1-phenyl-3-benzoylamino-4-benzoylpyrazol-2-in-5-one exists in the solid phase in an NH-tautomeric form, which is stabilised by two intramolecular hydrogen bonds and one intermolecular bond with the solvate dioxane molecule, the latter being used as a solvent for recrystallisation. |
| Keywords: | Pyrazolones Tautomerism X-ray single crystal diffraction Hydrogen bonding |
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