Crystal structure of 1-{3-acetyl-2-(4-chloro-phen-yl)-6-hy-droxy-4-[(2-hy-droxy-prop-yl)amino]-6-methyl-cyclo-hex-3-en-1-yl}ethanone.

Shaaban K Mohamed,Mehmet Akkurt,Antar A Abdelhamid,Mustafa R Albayati,Joel T Mague

doi:10.1107/s2056989015008191

Abstract

In the title compound, C20H26ClNO4, the central cyclohexene ring adopts an approximate envelope conformation with the C atom binding with the hydroxy group at the tip of the flap. There is an intramolecular N—H⋯O hydrogen bond generating an S(6) ring motif. In the crystal, classical O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯Cl interactions link the molecules, forming a three-dimensional supramolecular architecture. The crystal structure was refined as a four-component twin.

Highlights

In the title compound, C20H26ClNO4, the central cyclohexene ring adopts an approximate envelope conformation with the C atom binding with the hydroxy group at the tip of the flap
The crystal structure was refined as a four-component twin
Absolute structure: The crystal is a non-merohedral twin with each component being a racemic twin as well

Summary

Introduction

C20H26ClNO4, the central cyclohexene ring adopts an approximate envelope conformation with the C atom binding with the hydroxy group at the tip of the flap. The crystal structure was refined as a four-component twin. H-atom parameters constrained max = 0.39 e Å3

Results

Conclusion