Ezetimibe anhydrate, determined from laboratory powder diffraction data.
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.
Brüning
Jürgen
J
Institute of Inorganic and Analytical Chemistry, University of Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany.
Alig
Edith
E
Schmidt
Martin U
MU
D001384:Azetidines / Q000737:chemistry*; D018360:Crystallography, X-Ray; D000069438:Ezetimibe; D006860:Hydrogen Bonding; D015394:Molecular Structure; D033362:Powder Diffraction / Q000379:methods
D001384:Azetidines; D000069438:Ezetimibe