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Citation
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HERO ID
3831389
Reference Type
Journal Article
Title
3-Hy-droxy-2,2-bis-(1H-pyrazol-1-yl)-cyclo-penta-none
Author(s)
Rybakov, VB; Utkina, AA; Kurkin, AV; Yurovskaya, MA
Year
2012
Is Peer Reviewed?
Yes
Journal
Acta Crystallographica. Section E: Structure Reports Online
ISSN:
1600-5368
Volume
68
Issue
Pt 3
Page Numbers
o844
Language
English
PMID
22412705
DOI
10.1107/S1600536812007659
Abstract
The title compound, C(11)H(12)N(4)O(2), was unexpectedly obtained in the reaction of α,α'-disubstituted cyclo-penta-none with 1,1,3,3-tetra-meth-oxy-propane 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 cyclo-penta-none moiety adopts an envelope conformation, with the hy-droxy-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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OPPT REs
•
OPPT_1,4-Dioxane_D. Exposure
Total – title/abstract screening
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