Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 4 (April 2004)

hj1000 scheme

Acta Cryst. (2004). C60, m147-m149 [doi:10.1107/S0108270104002938]

3-(4-Cyanophenyl)pentane-2,4-dione and its copper(II) complex

B. Chen, F. R. Fronczek and A. W. Maverick

Abstract: The [beta] -diketone 3-(4-cyanophenyl)pentane-2,4-dione crystallizes as the enol tautomer 4-(2-hydroxy-4-oxopent-2-en-3-yl)benzonitrile, C₁₂H₁₁NO₂, (I), with an intramolecular O-HO hydrogen bond [OO = 2.456 (2) Å]. Reaction of (I) with copper acetate monohydrate in the presence of triethylamine leads to the formation of the copper(II) complex bis[3-(4-cyanophenyl)pentane-2,4-dionato- [bold kappa] ²O,O]copper(II), [Cu(C₁₂H₁₀NO₂)₂], (II). In the structure of (II), the Cu atom is coordinated by four [beta] -diketonate O atoms in a slightly distorted square-planar geometry, with Cu-O distances in the range 1.8946 (11)-1.9092 (11) Å. The nitrile moieties in (II) make it a candidate for reaction with other metal ions to produce supramolecular structures.

Formula: C₁₂H₁₁NO₂ and [Cu(C₁₂H₁₀NO₂)₂]

Online 11 March 2004


	Structure factor file (CIF format) (96.9 kbytes) Contains datablock I

	Structure factor file (CIF format) (346.5 kbytes) Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.