Synchrotron X-ray powder diffraction data of atorvastatin

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

X-ray powder diffraction data collected in transmission and high-throughput geometries were used to analyze form I of atorvastatin. The X-ray wavelength of the synchrotron radiation used in this study was determined to be lambda = 1.3771 angstrom. Form I of atorvastatin was found to be triclinic with space 0 group P1 and unit cell parameters a=5.4568(2) angstrom, b=9.8887(4) angstrom, c=30.3091(9) angstrom, alpha=76.801(3)degrees, beta=99.177(5)degrees, gamma=105.318(5)degrees, V=1527.1(1) angstrom(3), Z= 1, and M= 1209.41 g mol(-1) Alternatively, another unit cell dimension can be used to describe the same P1 crystal with a =5.4564(2) angstrom, b=9.8883(4) angstrom, c=29.6555(8) angstrom, alpha=95.745(3)degrees, beta=94.297(5)degrees, gamma= 105.327(5)degrees and V= 1526.8(1) angstrom(3). (C) 2008 International Centre for Diffraction Data. [DOI: 10.1154/1.2996511]