Skip to main content
. 2013 Oct 26;69(Pt 11):o1709–o1710. doi: 10.1107/S1600536813028730
Experimental. Spectroscopic data for the title compound: 1H NMR (400 MHz, CDCl3): δ 7.54-7.55 (d, J=2.8 Hz, 1H), 7.23-7.26 (d, J=8.4 Hz, 2H), 6.68-6.70 (d, J=8.0 Hz, 2H), 5.28-5.30 (d, J=11.2 Hz, 1H), 4.02 (brs, 2H), 3.91-3.95 (t, J=8.0Hz, 1H), 3.25 (m, 1H), 2.82-2.84 (d, J=8.8 Hz, 1H), 2.28-2.45 (m, 1H), 2.14-2.24 (m, 5H), 1.69 (s, 3H), 1.61 (s, 1H), 1.43-1.45 (m, 1H), 1.31(s, 3H); 13C NMR (100 MHz,CDCl3) δ 171.63, 148.15, 138.64, 134.79, 132.17, 125.12, 124.03, 123.29, 114.42, 82.71, 66.62, 61.58, 46.98, 41.88, 36.10, 29.33, 24.33, 17.49, 17.36 ppm.
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.