首页|Crystal structure of trametinib dimethyl sulfoxide, C_(26)H_(23)FIN_5O_4(C_2H_6OS)
Crystal structure of trametinib dimethyl sulfoxide, C_(26)H_(23)FIN_5O_4(C_2H_6OS)
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Cambridge Univ Press
The crystal structure of trametinib dimethyl sulfoxide has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Trametinib dimethyl sulfoxide crystallizes in space group P-1 (#2) with a = 10.7533(4), b = 12.6056(5), c = 12.8147(6)A, α = 61.2830(8), β = 69.9023(11), γ = 77.8038(10)°, V = 1,428.40(3) A~3, and Z = 2 at 298 K. The crystal structure contains hydrogen-bonded trametinib and dimethyl sulfoxide (DMSO) molecules. These are arranged into layers parallel to the (101) plane. There are two strong classical hydrogen bonds in the structure. One links the trametinib and DMSO molecules. Another is an intramolecular hydrogen bond. The powder pattern has been submitted to the International Centre for Diffraction Data for inclusion in the Powder Diffraction File™.
trametinibMekinist®crystal structureRietveld refinementdensity functional theory
James A. Kaduk、Anja Dosen、Tom N. Blanton
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Department of Chemistry, Illinois Institute of Technology, Chicago, IL, USA||Department of Physics, North Central College, Naperville, IL, USA
International Centre for Diffraction Data (ICDD), Newtown Square, PA, USA
NETL
NSTL
Cambridge Univ Press
