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Ethyl (2Z)-3-oxo-2-(3,4,5-tri-meth-oxy-benzyl-idene)butano-ate

Zukerman-Schpector J 1 , Hino CL 1 , Moran PJ 2 , de Paula BR 2 , Ng SW 3 , Tiekink ER 4

Affiliations 

  • 1 Department of Chemistry, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 2 Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas, SP, Brazil
  • 3 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia ; Chemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
  • 4 Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Acta Crystallogr Sect E Struct Rep Online, 2013;69(Pt 9):o1474.
PMID: 24427096 DOI: 10.1107/S1600536813023374

Abstract

In the title compound, C16H20O6, the conformation about the C=C double bond [1.344 (2) Å] is Z. With respect to this bond, the ketone is almost coplanar [C-C-C-O torsion angle = -179.60 (10)°] and the ester is almost perpendicular [C-C-C-O = 78.42 (13)°]. The meth-oxy substituents of the central benzene ring are either almost coplanar [C-C-O-C = 3.54 (15) and 177.70 (9)°] or perpendicular [C-C-O-C = 80.08 12)° for the central substituent]. In the crystal, the three-dimensional architecture features C-H⋯O and π-π [inter-centroid distance = 3.6283 (6) Å] inter-actions.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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