Hostname: page-component-586b7cd67f-dlnhk Total loading time: 0 Render date: 2024-11-23T05:53:57.085Z Has data issue: false hasContentIssue false
  • English
  • Français

X-ray powder diffraction analysis of tegafur

Published online by Cambridge University Press:  01 March 2012

F. Needham ,
J. Faber ,
T. G. Fawcett  and
D. H. Olson
F. Needham
Affiliation:
International Centre for Diffraction Data, 12 Campus Boulevard, Newtown Square, Pennsylvania 19073-3273
J. Faber
Affiliation:
International Centre for Diffraction Data, 12 Campus Boulevard, Newtown Square, Pennsylvania 19073-3273
T. G. Fawcett
Affiliation:
International Centre for Diffraction Data, 12 Campus Boulevard, Newtown Square, Pennsylvania 19073-3273
D. H. Olson
Affiliation:
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854
Get access Rights & Permissions [Opens in a new window]

Abstract

An experimental X-ray powder diffraction pattern was produced and analyzed for alpha-polymorphic tegafur, also called Ftorafur (an antineoplastic agent). The indexed data matched the powder patterns in the ICDD PDF-4/Organics database calculated from the reported single-crystal X-ray diffraction data in the Cambridge Structural Database. Alpha tegafur has a triclinic crystal system, with reduced cell parameters of a=16.720(6) Å, b=9.021(5) Å, c=5.995(3) Å, α=93.66(4)°, β=93.15(8)°, γ=100.14(4)°. There are four formula units contained in one unit cell. The cell volume and space group were determined to be 886.27 Å3 and P-1, respectively.

Keywords

tegafurC8H9FN2O3X-ray powder diffractionpolymorphshydrogen bonding
Type
New Diffraction Data
Information
Powder Diffraction , Volume 21 , Issue 3 , September 2006 , pp. 245 - 247
Copyright
Copyright © Cambridge University Press 2006

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Guo, D., Lu, P., Shen, C., and Wang, F. (1983). “Crystal Structure of N’- (2-tetrahydrofuranyl)-5-Fluorouracil,” Sci. Sin., Ser. B (Engl. Ed.) SSBSEF 26, 1009–1013.Google Scholar
ICDD (2004–2005). PDF-4/Organics 2006 database. International Centre for Diffraction Data.Google Scholar
ICDD (2005). “Powder Diffraction File,” International Centre for Diffraction Data, edited by McClune, Frank, Newtown Square, PA.Google Scholar
Nakai, Y., Yamamoto, K., Terada, K., Uchida, T., Shimizu, N., and Nichigaki, S. (1982). “The Crystal Structure of Ftorafur,” Chem. Pharm. Bull. (Tokyo) CPBTAL 30, 2629–2632.CrossRefGoogle Scholar
Needham, F. and Faber, J. (2003). “Total Pattern Analysis Using the New Organic Powder Diffraction File: PDF-4/Organics,” Am. Pharm. Rev. 6, 10–12.Google Scholar
Yamamoto, K., Uchida, T., Yonemochi, E., Oguchi, T., Terada, K., and Nakai, Y. (1993). “Polymorphism of Tegafur: Physico-chemical Properties of Four Polymorphs,” Chem. Pharm. Bull. (Tokyo) CPBTAL 41, 1632–1635.Google Scholar