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1 results

  • Crystal structure of palbociclib form A, C24H29N7O2

  • Petr Buikin, Alexander Korlyukov, Ivan Ushakov, Alexander Goloveshkin, Elizaveta Kulikova, Anna Vologzhanina
  • Journal:
    Powder Diffraction / Volume 39 / Issue 4 / December 2024
    Published online by Cambridge University Press:
    20 December 2024, pp. 270-274
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  • 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®).