Research Article: Lysergol monohydrate

Date Published: February 01, 2012

Publisher: International Union of Crystallography

Author(s): Stefan Merkel, Robert Köppen, Matthias Koch, Franziska Emmerling, Irene Nehls.


In the title compound [systematic name: (7-methyl-4,6,6a,7,8,9-hexa­hydro­indolo[4,3,2-fg]quinoline-9-yl)methanol monohydrate], C16H18N2O·H2O, the non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar, with a maximum deviation of 0.659 (3) Å, and shows an envelope conformation. In the crystal, hydrogen bonds between the lysergol and water mol­ecules contribute to the formation of layers parallel to (10).

Partial Text

For the natural occurrence of lysergol, see: Amor-Prats & Harborne (1993 ▶); Uhlig et al. (2007 ▶). For the crystal structures of other alkaloids produced by Clavicipitaceae see: Pakhomova et al. (1995 ▶); Merkel et al. (2010 ▶).