A unique tautomer of 1-n-hexyl-3-phenyl-1H-pyrazol-5-ol

In the title compound, C15H20N2O, the bond distances and angles are consistent with the presence of the hydroxy tautomer. This tautomer was unambiguously determined by the clear presence of a H atom bonded to oxygen, as well as the total absence of any residual electron density around the N atom in...

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Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2006-10, Vol.62 (10), p.o599-o601
Main Authors: Belmar, Julio, Jiménez, Claudio, Ruiz-Pérez, C., Delgado, F. S., Baggio, Ricardo
Format: Article
Language:English
Subjects:
Chemical compounds
Condensed matter: structure, mechanical and thermal properties
Crystal structure
Crystalline state (including molecular motions in solids)
Exact sciences and technology
Hydrogen
Nitrogen
Oxygen
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
Theory of crystal structure, crystal symmetry
calculations and modeling
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Summary:In the title compound, C15H20N2O, the bond distances and angles are consistent with the presence of the hydroxy tautomer. This tautomer was unambiguously determined by the clear presence of a H atom bonded to oxygen, as well as the total absence of any residual electron density around the N atom in the heterocycle, thus precluding any possibility of desmotropism.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270106032926