Crystal structure of choline fenofibrate (Trilipix®), (C5H14NO) (C17H14ClO4)

Journal Article · Mon Apr 04 04:00:00 EDT 2016 · Powder Diffraction

DOI:https://doi.org/10.1017/S0885715616000099· OSTI ID:1324779

Kaduk, James A.; Zhong, Kai; Gindhart, Amy M.; Blanton, Thomas N.

The crystal structure of choline fenofibrate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Choline fenofibrate crystallizes in space groupPbca(#61) witha= 12.341 03(2),b= 28.568 70(6),c= 12.025 62(2) Å,V= 4239.84(1) ų, andZ= 8. The hydroxyl group of the choline anion makes a strong hydrogen bond to the ionized carboxylate group of the fenofibrate anion. Together with C–H···O hydrogen bonds, these link the cations and anions into layers parallel to theac-plane. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: DOE - BASIC ENERGY SCIENCESOTHER
• OSTI ID: 1324779
• Journal Information: Powder Diffraction, Journal Name: Powder Diffraction Journal Issue: 02 Vol. 31; ISSN 0885-7156
• Publisher: Cambridge University Press
• Country of Publication: United States
• Language: ENGLISH