Hostname: page-component-cd9895bd7-8ctnn Total loading time: 0 Render date: 2024-12-28T07:37:57.361Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access Rights & Permissions [Opens in a new window]

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Aronhime, J., Lidor-Hadas, R., Niddam-Hildesheim, V., Lifshitz-Liron, R., and Kovalesvski-Ishai, E. (2003). “Novel crystal forms of atorvastatin hemi-calcium and processes for their preparation as well as novel processes for preparing other forms,” Patent Assignee Teva Pharmaceutical Industries Ltd., Application Number 825/DELNP/2003, Patent WO 02/43732, 29 November 2001.Google Scholar
Ayalon, A., Levinger, M., Roytblat, S., Niddam, V., Lifshitz, R., and Aronhime, J. (2006). “A process for preparing atorvastatin calcium form V, or hydrate thereof,” Patent Assignee Teva Pharmaceutical Industries Ltd., Application Number 922/MUMNP/2005, WO 01/36384, 15 September 2006.Google Scholar
Briggs, C. A., Jennings, R. A., Wade, R., Harasawa, K., Ichikawa, S.,Minohara, K., and Nakagawa, S. (1999). “Crystalline [R-(R*, R*)]-2-(4-Dfluorophenyl)-β,δ-dihydroxy-5-(1-methylethy l)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemi calcium salt (atorvastatin),” Patent Assignee Warner-Lambert Co., Application No. 08/945,812, US005,969,156A, 19 October 1999.Google Scholar
Brunton, L., Lazo, J., and Parker, K. (2005). Goodman & Gilman’s The Pharmacological Basis of Therapeutics (McGraw-Hill, Columbus, OH), 11th ed.Google Scholar
Cheary, R. W. and Coelho, A. A. (1998a). “Axial divergence in a conventional X-ray powder diffractometer. I. Theoretical foundations,” J. Appl. Crystallogr.JACGAR10.1107/S0021889898006876 31, 851–861.CrossRefGoogle Scholar
Cheary, R. W. and Coelho, A. A. (1998b). “Axial divergence in a conventional X-ray powder diffractometer. II. Realization and evaluation in a fundamental-parameter profile fitting procedure,” J. Appl. Crystallogr.JACGAR 31, 862–868.CrossRefGoogle Scholar
Coelho, A. A. (2003). “Indexing of powder diffraction patterns by iterative use of singular value decomposition,” J. Appl. Crystallogr.JACGAR10.1107/S0021889802019878 36, 86–95.CrossRefGoogle Scholar
Coelho, A. A. (2007). TOPAS-Academic, version 4.1 (Computer Software), Coelho Software, Brisbane.Google Scholar
Ferreira, F. F., Granado, E., Carvalho, W. Jr., Kycia, S. W., Bruno, D., and Droppa, R. Jr. (2006). “X-ray powder diffraction beamline at D10B of LNLS: application to the Ba2FeReO6 double perovskite,” J. Synchrotron Radiat.JSYRES10.1107/S0909049505039208 13, 46–53.CrossRefGoogle Scholar
Giles, C., Yokaichiya, F., Kycia, S. W., Sampaio, L. C., Ardiles-Saravia, D. C., Franco, M. K. K., and Neuenschwander, R. T. (2003). “High-resolution X-ray diffraction beamline at the LNLS for the study of charge, orbital and magnetic structures,” J. Synchrotron Radiat.JSYRES10.1107/S0909049503020958 10, 430–434.CrossRefGoogle Scholar
Ichikawa, S., Jennings, R. A., Briggs, C. A., Nakagawa, S., Harasawa, K., Wade, R. A., and Minohara, K. (1997). “Crystalline [R-(R*, R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethy l)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemi calcium salt (atorvastatin),” Patent Assignee Warner-Lambert Co., Application No. CA19962220018 19960708, CA2220018, 6 February 1997.Google Scholar
McKenzie, A. T. (1997). “Form III crystalline [R-(R*, R*)]-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino) carbonyl]-1H-pyrrole-1-heptanoic acid calcium salt (2:1),” Patent Assignee Warner-Lambert Co., Application No. PCT/US96/11367, WO 97/03958, 19 September 2000.Google Scholar
Pawley, G. S. (1981). “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr.JACGAR10.1107/S0021889881009618 14, 357–361.CrossRefGoogle Scholar
Rossi, S., (Ed.) (2006). Australian Medicines Handbook 2006 (Australian Medicines Handbook, Adelaide).Google Scholar
Tessler, L., Aronhime, J., Lifshitz-Liron, R., Maidan-Hanoch, D., and Hasson, N. (2003). “Novel crystal forms of atorvastatin hemi-calcium and processes for their preparation, as well as novel processes for preparing aotrvastatin hemi-calcium forms I, VIII and IX,” Patent Assignee Teva Pharmaceutical Industries Ltd., Application No. EP1480950, Patent WO 03/070702 A1, 19 February 2003.Google Scholar
Thompson, P., Cox, D. E., and Hastings, J. B. (1987). “Rietveld refinement of Debye-Scherrer synchrotron X-ray data from Al2O3,” J. Appl. Crystallogr.JACGAR10.1107/S0021889887087090 20, 79–83.CrossRefGoogle Scholar
Toby, B. H. (2006). “R factors in Rietveld analysis: How good is good enough?,” Powder Diffr.PODIE210.1154/1.2179804 21, 67–70.CrossRefGoogle Scholar
Vaquero, M., Caballero, R., Gómez, R., Núñez, L., Tamargo, J., and Delpón, E., (2007). “Effects of atorvastatin and simvastatin on atrial plateau currents,” J. Mol. Cell. Cardiol.JMCDAY 42, 931–945.CrossRefGoogle ScholarPubMed
Young, R. A. and Desai, P. (1989). “Crystallite size and microstrain indicators in Rietveld refinement,” Arch. Nauk. Mat. (Arch. Mater. Sci.) 10, 71–90.Google Scholar