Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate

Bernhard Bugenhagen; Ariane Munk; Volkmar Vill; Yosef Al Jasem; Thies Thiemann

doi:10.1107/S2056989014028278

Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimeth-oxy-3-methyl-phen-yl)prop-2-enoate

Acta Crystallogr E Crystallogr Commun. 2015 Jan 10;71(Pt 2):o92-3. doi: 10.1107/S2056989014028278. eCollection 2015 Feb 1.

Authors

Bernhard Bugenhagen¹, Ariane Munk², Volkmar Vill², Yosef Al Jasem³, Thies Thiemann⁴

Affiliations

¹ Institute of Inorganic Chemistry, University of Hamburg, Hamburg, Germany.
² Institute of Organic Chemistry, University of Hamburg, Hamburg, Germany.
³ Department of Chemical Engineering, United Arab Emirates University, Al Ain, Abu Dhabi.
⁴ Department of Chemistry, United Arab Emirates University, Al Ain, Abu Dhabi.

Abstract

In the title compound, C39H58O4, the steroid rings A and C adopt a chair conformation, while ring B adopts a half-chair conformation, and ring D has an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, mol-ecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linked via C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming a three-dimensional framework.

Keywords: C—H⋯π interactions; cholesteryl cinnamates; crystal structure; hydrogen bonding; methyl (E)-3-(2,4-dimethoxy-3-methylphenyl)acrylate.