The Tetragonal Crystal Structure of 2:3 Deoxycholic Acid–Water Complex

Abstract

The deoxycholic acid (DCA)–water (2:3) complex crystallises in space group P4₁2₁2. The DCA molecules form hydrogen‐bonded layers which contain channels filled by chains of water molecules. These water molecules are linked by hydrogen bonds with each other and with the DCA molecules on the channel walls. The channel walls are thus hydrophilic unlike the hydrophobic channel walls found in the commonly observed orthorhombic P2₁2₁2₁ inclusion complexes of DCA.