Abstract
In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in the ortho position is twisted [O—N—C—C = 138.28 (13)°]. The molecules associate via C—H⋯O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N⋯O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].
Highlights
For background to biotransformations mediated by Saccharomyces cerevisiae, see: Rodrigues et al (2004); de Paula et al
In the context of the study of biotransformation reactions mediated by Saccharomyces cerevisiae, such as the bioreduction of α-haloketones and enones (Rodrigues et al, 2004), the title compound, (3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2- one, (I), as well as its 4-nitrophenylmethyl analogue, i.e. (3E)-3-(4-nitrophenoxymethyl)-4phenylbut-3-en-2-one, (II), (Zukerman-Schpector et al 2014), were synthesised to be used as substrates in order to compare their behaviour with that of the 3-halomethyl-4-phenyl-3-buten-2-ones analogues
The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
For background to biotransformations mediated by Saccharomyces cerevisiae, see: Rodrigues et al (2004); de Paula et al. C17H14N2O6, the conformation about the C C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2) ] Along with the phenyl ring [C—C—C—C = 5.9 (2) ]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached
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