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Crystal structure of palbociclib form A, C24H29N7O2

Published online by Cambridge University Press:  20 December 2024

Petr Buikin ,
Alexander Korlyukov ,
Ivan Ushakov ,
Alexander Goloveshkin ,
Elizaveta Kulikova  and
Anna Vologzhanina Open the ORCID record for Anna Vologzhanina [Opens in a new window]
Petr Buikin
Affiliation:
A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Vavilova str. 28, Moscow 119334, Russia Institute of General and Inorganic Chemistry RAS, Leninsky Prosp. 31, Moscow 119991, Russia
Alexander Korlyukov
Affiliation:
A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Vavilova str. 28, Moscow 119334, Russia
Ivan Ushakov
Affiliation:
A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Vavilova str. 28, Moscow 119334, Russia
Alexander Goloveshkin
Affiliation:
A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Vavilova str. 28, Moscow 119334, Russia
Elizaveta Kulikova
Affiliation:
Kurchatov Institute, National Research Center, Pl. Akad. Kurchatova 1, Moscow 123182, Russia
Anna Vologzhanina*
Affiliation:
A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Vavilova str. 28, Moscow 119334, Russia
*
a)Author to whom correspondence should be addressed. Electronic mail: ann.vologzhanina@gmail.com
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Abstract

The crystal structure of palbociclib (C24H29N7O2) used as a medication for the treatment of breast cancer has been solved and refined using synchrotron radiation after density functional theory optimization. Palbociclib crystallizes in the monoclinic system (space group P21/c, #14) at room temperature with crystal parameters: a = 11.3133(2), b = 5.62626(9), c = 35.9299(9) Å, β = 101.5071(12), V = 2241.03(8) Å3, and Z = 4. The crystal structure contains infinite N–H⋯N bonded layers. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

Keywords

palbociclibpowder diffractionRietveld refinement

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Type
New Diffraction Data
Information
Powder Diffraction , Volume 39 , Issue 4 , December 2024 , pp. 270 - 274
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Copyright
Copyright © The Author(s), 2024. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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Footnotes

†

Deceased

References

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