Constituents of Millingtonia hortensis: Isolation and Crystal Structure of trans-1-(2'-Hydroxyethyl)cyclohexane-1,4-diol

Abstract

The isolation of trans-1-(2'-hydroxyethyl)cyclohexane-1,4-diol from the flowers of Millingtonia hortensis and its characterization, including a single-crystal X-ray structure determination at 295 K, is described. Crystals are triclinic, P1, a 12.348(5), b 11 .390(5), c 6.575(3) Å , α 112.16(3), β 90.79(4), γ°, Z 4. R was 0.045 for 1475 independent 'observed', diffractometer reflections. In the two independent molecules of the asymmetric unit, the cyclohexane ring is in the usual 'chair' conformation with the ring hydroxy substituents occupying axial positions. The hydroxyethyl groups, however, adopt different orientations in the two molecules.