Solid-state structure of calcium (±)-threo-9,10-dihydroxyoctadecan-1-sulfate

✍ Scribed by David A. Jaeger; Yasmin M. Sayed; Patricia A. Goodson

• Book ID: 103037082
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 467 KB
• Volume: 72
• Category: Article
• ISSN: 0009-3084
• DOI: 10.1016/0009-3084(94)90013-2

✦ Synopsis

The solid-state structure of calcium (±)-threo-9,10-dihydroxyoctadecan-l-sulfate (1) was determined. Compound 1 crystallized in the centrosymmetric triclinic space group PT with two [CsHI7CH(OH)CH(OH)(CHz)sOSO3]2 -Ca(H20) 2 formula units in a unit cell of dimensions a = 5.507 (2) A, b = 10.323 (3) A, c = 40.175 (12) A, ¢x = 91.54 (2) °,/~ = 93.67 (2) °, 7 = 98.33 (2) ° and V = 2253.5 (12) A 3. The crystal packing is characterized by a tail-to-tail bilayer structure. Intermolecular hydrogen bonding occurs among the vic-diol-substituted hydrocarbon chains. Each calcium ion is seven-coordinate, bonding to oxygens of five different sulfate groups and to oxygens of two water molecules.