Ezetimibe anhydrate, determined from laboratory powder diffraction data

Acta Crystallogr C. 2010 Jul;66(Pt 7):o341-4. doi: 10.1107/S0108270110019190. Epub 2010 Jun 8.

Abstract

Ezetimibe {systematic name: (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one}, C(24)H(21)F(2)NO(3), is used to lower cholesterol levels by inhibiting cholesterol resorption in the human intestine. The crystal structure of ezetimibe anhydrate was solved from laboratory powder diffraction data by means of real-space methods using the program DASH [David et al. (2006). J. Appl. Cryst. 39, 910-915]. Subsequent Rietveld refinement with TOPAS Academic [Coelho (2007). TOPAS Academic User Manual. Version 4.1. Coelho Software, Brisbane, Australia] led to a final R(wp) value of 8.19% at 1.75 A resolution. The compound crystallizes in the space group P2(1)2(1)2(1) with one molecule in the asymmetric unit. The molecules are closely packed and two intermolecular hydrogen bonds form an extended hydrogen-bond architecture.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Azetidines / chemistry*
  • Crystallography, X-Ray
  • Ezetimibe
  • Hydrogen Bonding
  • Molecular Structure
  • Powder Diffraction / methods

Substances

  • Azetidines
  • Ezetimibe