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1 results

  • Crystal structure of oxfendazole, C15H13N3O3S

  • James A. Kaduk, Stacy Gates-Rector, Thomas N. Blanton
  • Journal:
    Powder Diffraction / Volume 38 / Issue 1 / March 2023
    Published online by Cambridge University Press:
    27 January 2023, pp. 37-42
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  • The crystal structure of oxfendazole has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Oxfendazole crystallizes in space group P21/c (#14) with a = 18.87326(26), b = 10.40333(5), c = 7.25089(5) Å, β = 91.4688(10)° V = 1423.206(10) Å3, and Z = 4. The crystal structure consists of stacks of the planar portions of the L-shaped molecules, resulting in layers parallel to the bc-plane. Only weak hydrogen bonds are present. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).