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Lookup NU author(s): Dr Liana Vella-Zarb, Dr Ulrich Baisch
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Paclitaxel is an important antineoplastic drug, which is used widely in the treatment of many forms of cancer. The crystal structures of the anhydrous form and the hemihydrate were determined from laboratory X-ray powder diffraction data, whereas the dihydrate was solved from single-crystal synchrotron diffraction data. Intermolecular spaces allow for the inclusion of loosely bound water molecules, which are then lost easily upon heating. All three forms were found to crystallize in the orthorhombic spacegroup P212121, with Z′ = 2. The unit cell parameters were found to be a = 9.6530(3) Å, b = 28.1196(8) Å, c = 33.5378(14) Å, and V = 9103.5(5) Å for the anhydrous form (363 K); a = 9.6890(2) Å, b = 28.0760(4) Å, c = 33.6166(8) Å, and V = 9144.7(3) Å3 for the hemihydrate (333 K); and a = 9.512(6) Å, b = 28.064(16) Å, c = 33.08(2) Å, and V = 8829.0(9) Å3 for the dihydrate (120 K). Water loss occurs in two steps between 120 K ≤ t ≤ 363 K. The thermal stability of the hydrates and accompanying unit cell changes were observed in situ via temperature-resolved X-ray powder diffraction and thermogravimetric analysis.
Author(s): Vella-zarb L, Baisch U, Dinnebier RE
Publication type: Article
Publication status: Published
Journal: Journal of Pharmaceutical Sciences
Year: 2013
Volume: 102
Issue: 2
Pages: 674-683
Print publication date: 30/11/2012
ISSN (print): 0022-3549
ISSN (electronic): 1520-6017
Publisher: John Wiley & Sons, Inc.
URL: http://dx.doi.org/10.1002/jps.23404
DOI: 10.1002/jps.23404
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