Acta Crystallographica Section E

Volume 67, Part 5 (May 2011)

organic compounds

fl2342 scheme

Acta Cryst. (2011). E67, o1265 [ doi:10.1107/S1600536811015236 ]

(E)-1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

G. Wang and Y. Yang

Abstract: The title compound, C₂₃H₂₄O₆, crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angles between the benzopyran ring and the [alpha] , [beta] -unsaturated ketone unit and between the [alpha] , [beta] -unsaturated ketone group and the benzene ring are 9.4 (10) and 12.96 (13)°, respectively, in molecule A and 1.40 (17) and 4.44 (17)°, respectively, in molecule B. The two methoxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C-O-C-C = 6.2 (3) and -1.4 (3)° in molecule A and -4.2 (4) and 3.7 (3)° in molecule B], whereas the third methoxy group, at the para position, is (+)-anticlinal with respect to the benzene ring [C-O-C-C = 81.7 (3)°] in molecule A and is (-)-synclinal with respect to the benzene ring [C-O-C-C = -103.2 (3)°] in molecule B. In both independent molecules, the hydroxy group is involved in an intramolecular O-HO hydrogen bond.


	Hyper-Text Markup Language (HTML) file (113.5 kbytes) [ doi:10.1107/S1600536811015236/fl2342sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (8.2 kbytes) [ doi:10.1107/S1600536811015236/fl2342Isup3.cml ] Supplementary material

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.

Search: From to Advanced search