Crystal structure of the lignan, methyl-dimethyl-α-conidendrin sulfonate

Abstract

The title compound crystallizes in space groupP2₁, with unit cell parametersa = 9.777(1),b = 7.750(1),c= 15.884(2) Å, and β = 100.3 °;D _c = 1.34 andD _m = 1.33 g cm⁻³ andZ = 2. The structure was solved by direct methods and refined by block-diagonal least-squares procedures with weightedF values to a finalR _w of 0.079 (R = 0.084). A total of 2243 intensities was measured, using a diffractometer and monochromated MoKα radiation, of which 826 were ⩽2σ(I) and classed as “unobserved.” In the crystal, the C(10) aryl group is approximately perpendicular to the tetrahydronaphthalene nucleus. The carbon atoms in each of the two sets ofortho-methoxyl groups are in opposition to each other and coplanar with their respective aromatic rings. The methoxyl group attached to the sulfur has an unexplained anomalously short C-O bond length, but otherwise bond lengths and angles are normal.