rac-1,1,1,6,6,6-Hexachlorohex-3-yne-2,5-diol hemihydrate

The asymmetric unit of the title compound, C6H4Cl6O2·0.5H2O, contains one molecule of 1,1,1,6,6,6-hexachlorohex-3-yne-2,5-diol and half a water molecule located on a twofold rotation axis. In the crystal, pairs of hexachlorohexynediol molecules form centrosymmetric dimers connected via pairwise O—H....

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Bibliographic Details
Main Authors: Heiner Detert, Dieter Schollmeyer
Format: Article
Language:English
Published: International Union of Crystallography 2017-08-01
Series:IUCrData
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314617012366
Description
Summary:The asymmetric unit of the title compound, C6H4Cl6O2·0.5H2O, contains one molecule of 1,1,1,6,6,6-hexachlorohex-3-yne-2,5-diol and half a water molecule located on a twofold rotation axis. In the crystal, pairs of hexachlorohexynediol molecules form centrosymmetric dimers connected via pairwise O—H...O hydrogen bonds. These dimers are connected by water molecules, resulting in layers parallel to the ab plane.
ISSN:2414-3146