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

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 ?-? [inter-centroid distance = 3.6283?(6)?Å] inter-actions.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC3884456 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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

Zukerman-Schpector Julio J Hino Camila Lury CL Moran Paulo J S PJ de Paula Bruno R S BR Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

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 featu ...[more]

PMID: 24427096

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