2-Cyano-3-(4-hydroxyphenyl)propenoic acid
✍ Scribed by Qian, Hui-Fen ;Huang, Wei ;Yao, Cheng
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 211 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The title compound, C 11 H 12 O 4 , was prepared from the Knoevenagel condensation reaction of 3,4-dihydroxybenzaldehyde and monoethyl malonate. The almost planar molecule is the E isomer.
In the crystal structure of the title compound, C 15 H 11 NO 4 Á-H 2 O, there are hydrogen-bonded clusters involving conventional and unconventional hydrogen bonds of the types O-HÁ Á ÁO and C-HÁ Á ÁO. Pairs of molecules lie parallel to each other in a head-to-tail fashion, exhibiting strongoverlapp
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.101 Data-to-parameter ratio = 12.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 22 H 30 O 4 , is known as a chemopreventive agent against colon tumor development. The molecular structure is nearly planar, showing a trans arrangement with respect to the C C bond of the phenylpropenoate moiety.
The title compound, C 18 H 14 F 4 N 2 O 2 SÁCHCl 3 , forms a onedimensional hydrogen-bonded chain via a single O-HÁ Á ÁN interaction; the chain runs approximately along the [110] axis. The two benzene rings are almost parallel to one another, forming a dihedral angle of 8.43 (8) .