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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
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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

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References

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