4-[(3-Hydroxy-5-phenyl-1H-pyrazol-4-yl)-methyl]-5-phenyl-1H-pyrazol-3( 2H)-one

Autor(en): Baryala, Yamna
Zerzouf, Abdelfettah
Essassi, El Mokhtar
Reuter, Hans 
Eickmeier, Henning
Stichwörter: Crystallography
Erscheinungsdatum: 2007
Herausgeber: BLACKWELL PUBLISHING
Journal: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
Volumen: 63
Ausgabe: 5
Startseite: O2554-O2556
Zusammenfassung: 
The solid-state structure of the title compound, C19H16N4O2, is dominated by the keto-enol tautomerization of its two 1H-pyrazol-3-one moieties. Since all H atoms could be located in a difference Fourier synthesis, it was possible to distinguish the enol form from the keto form unambiguously. As a result of this tautomerization, an intramolecular hydrogen bond embedded in an eight-membered ring is formed. The two-dimensional hydrogen-bonding system results from three additional intermolecular hydrogen bonds of different strengths, all involved in eight-and ten-membered ring systems.
ISSN: 16005368
DOI: 10.1107/S1600536807018387

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