(E)-3-{4,6-Dimethoxy-2-[(E)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one

The crystal structure of a pharmacophore hybrid of chalcone and resveratrol is reported.

In the crystal, pairs of C-HÁ Á ÁO hydrogen bonds generate inversion dimers (Table 1, Fig. 2) and another pair of C-HÁ Á ÁO hydrogen bonds links the dimers into chains propagating along [010] (Fig. 3). Given their HÁ Á ÁO lengths of greater than 2.60 Å , these hydrogen bonds are presumably very weak.

Figure 2
A view of a dimer linked by pairwise C-HÁ Á ÁO hydrogen bonds (dashed lines) in the crystal structure of (I). For clarity only those H atoms involved in hydrogen bonding are shown.

Figure 3
Part of the crystal structure of (I) with hydrogen bonds (blue dashed lines) shown. For clarity only those H atoms involved in hydrogen bonding are shown.
gave crystals of the title compound in the form of orange blocks.

Refinement
Crystal data, data collection and structure refinement details are summarized in Table 2.

Data collection
Bruker APEXII CCD diffractometer Radiation source: fine-focus sealed tube Graphite monochromator phi and ω scans 14437 measured reflections 4659 independent reflections 2351 reflections with I > 2σ(I) R int = 0.058 θ max = 26.0°, θ min = 1.8°h Special details Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

data-2
IUCrData (2020). 5, x200792 Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.