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3-Hydroxy-2,2-bis(1H-pyrazol-1-yl)cyclopentanone
The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α′-disubstituted cyclopentanone with 1,1,3,3-tetramethoxypropane in the presence of dioxane saturated with HCl. It belongs to a previously unknown class of gem-bihetaryl ketones which may be useful for screen...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297902/ https://www.ncbi.nlm.nih.gov/pubmed/22412705 http://dx.doi.org/10.1107/S1600536812007659 |
Sumario: | The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α′-disubstituted cyclopentanone with 1,1,3,3-tetramethoxypropane in the presence of dioxane saturated with HCl. It belongs to a previously unknown class of gem-bihetaryl ketones which may be useful for screening of new substances with biological activity. In the studied structure, the cyclopentanone moiety adopts an envelope conformation, with the hydroxy-bearing C atom as the flap [deviation from basal plane = 0.643 (3) Å]. The dihedral angle between the two pyrazole rings is 80.02 (8)°. In the crystal, inversion dimers are formed via a pair of O—H⋯N hydrogen bonds. |
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