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Synchrotron X-ray powder diffraction data of atorvastatin

Published online by Cambridge University Press:  29 February 2012

Selma Gutierrez Antonio ,
Fernanda Ribeiro Benini ,
Fabio Furlan Ferreira ,
Paulo César Pires Rosa  and
Carlos de Oliveira Paiva-Santos
Selma Gutierrez Antonio
Affiliation:
Departamento de Físico Química, Instituto de Química, Universidade Estadual Paulista, Caixa Postal 355, 14801-970 Araraquara, São Paulo, Brazil
Fernanda Ribeiro Benini
Affiliation:
Departamento de Físico Química, Instituto de Química, Universidade Estadual Paulista, Caixa Postal 355, 14801-970 Araraquara, São Paulo, Brazil
Fabio Furlan Ferreira
Affiliation:
Laboratório Nacional de Luz Síncrotron, Caixa Postal 6192, 13083-970 Campinas, São Paulo, Brazil
Paulo César Pires Rosa
Affiliation:
Departamento de Química Analítica, Instituto de Química, Universidade Estadual de Campinas, Caixa Postal 6154, 13084-862 Campinas, São Paulo, Brazil
Carlos de Oliveira Paiva-Santos
Affiliation:
Departamento de Físico Química, Instituto de Química, Universidade Estadual Paulista, Caixa Postal 355, 14801-970 Araraquara, São Paulo, Brazil
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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 P1 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) Å3, 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) 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) Å3.

Keywords

automatic indexingpowder diffractionatorvastatinsynchrotron radiation
Type
New Diffraction Data
Information
Powder Diffraction , Volume 23 , Issue 4 , December 2008 , pp. 350 - 355
Copyright
Copyright © Cambridge University Press 2008

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