SOLID-STATE STRUCTURE OF CALCIUM (+ -)-THREO-9,10-DIHYDROXYOCTADECAN-1-SULFATE/

The solid-state structure of calcium (+/-)-threo-9,10-dihydroxyoctadec an-1-sulfate (1) was determined. Compound 1 crystallized in the centro symmetric triclinic space group P $($) over bar$$ 1 with two [C8H17CH( OH)CH(OH)(CH2)(8)OSO3](2)-Ca(H2O)(2) formula units in a unit cell of d imensions a = 5.507 (2) Angstrom, b = 10.323 (3) Angstrom, c = 40.175 (12) Angstrom, alpha = 91.54 (2)degrees, beta = 93.67 (2)degrees, gamm a = 98.33 (2)degrees and V = 2253.5 (12) Angstrom(3). The crystal pack ing is characterized by a tail-to-tail bilayer structure. Intermolecul ar hydrogen bonding occurs among the vic-diol-substituted hydrocarbon chains. Each calcium ion is seven-coordinate, bonding to oxygens of fi ve different sulfate groups and to oxygens of two water molecules.