3-Hydroxy-2,2-bis(1H-pyrazol-1-yl)cyclopentanone

被引：2

作者：

Rybakov, Victor B. ^{[1
]}

Utkina, Anastasia A. ^{[1
]}

Kurkin, Alexander V. ^{[1
]}

Yurovskaya, Marina A. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

关键词：

data-to-parameter ratio = 15.6; mean σ(C-C) = 0.003 Å; R factor = 0.046; single-crystal X-ray study; T = 295 K; wR factor = 0.124;

D O I：

10.1107/S1600536812007659

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C 11H 12N 4O 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.

引用

页码：O844 / U3014

页数：8

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