Abstract
The crystal structure of the potassium salt of raltegravir has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Raltegravir potassium crystallizes in space groupP21/c(#14) witha= 15.610 59(9),b= 8.148 19(3),c= 16.125 97(6) Å,β= 94.1848(5)°,V= 2045.72(1) Å3, andZ= 4. The most prominent feature of the crystal structure is the chains of edge-sharing 7-coordinate KO5N2parallel to theb-axis. The crystal structure can be described as having K-containing layers in thebc-plane, with double layers of CH4F halfway between them. The raltegravir anion is not in the minimum-energy conformation, suggesting that coordination to the K and hydrogen bonds play a significant role in the solid-state structure. The powder pattern is included in the Powder Diffraction File™ as entry 00-064-1499.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
