Crystal structure of palbociclib form A, C <sub>24</sub> H <sub>29</sub> N <sub>7</sub> O <sub>2</sub>
The crystal structure of palbociclib (C 24 H 29 N 7 O 2 ) 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 P 2 1 / 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) Å 3 , 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®).
Authors
- Alexander S. Goloveshkin (ORCID: https://orcid.org/0000-0003-4108-7117)
- Petr A. Buikin (ORCID: https://orcid.org/0000-0001-9243-9915)
- Ivan E. Ushakov (ORCID: https://orcid.org/0009-0009-5621-2057)
- Alexander Aleksandrovich Korlyukov (ORCID: https://orcid.org/0000-0002-5600-9886)
- Анна В. Вологжанина (ORCID: https://orcid.org/0000-0002-6228-303X)
- Elizaveta Kulikova (ORCID: https://orcid.org/0009-0005-0343-3359)
Institutions
- Kurchatov Institute (RU)
- A. N. Nesmeyanov Institute of Organoelement Compounds (RU)
Publication Details
- Journal
- Powder Diffraction
- Published
- 2024-12-01
- DOI
- https://doi.org/10.1017/s0885715624000411
- Citations
- 4
- Primary Topic
- Advanced Breast Cancer Therapies
- Type
- article
- Field-Weighted Citation Impact
- 1.68