Synchrotron X-ray powder diffraction data of atorvastatin

Abstract

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 λ =1.3771 Å. Form I of atorvastatin was found to be triclinic with space group P 1 and unit cell parameters a =5.4568(2) Å, b =9.8887(4) Å, c =30.3091(9) Å, α =76.801(3)°, β =99.177(5)°, γ =105.318(5)°, V =1527.1(1) Å 3 , Z =1, and M =1209.41 g mol −1 Alternatively, another unit cell dimension can be used to describe the same P 1 crystal with a =5.4564(2) Å, b =9.8883(4) Å, c =29.6555(8) Å, α =95.745(3)°, β =94.297(5)°, γ =105.327(5)°, and V =1526.8(1) Å 3 .