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- W2023658861 abstract "Single crystal X-ray structures of two polymorphs of 1-(1,6-dithiahexyl)anthracene-9,10-dione are reported. These structures reveal a conformational difference in the orientation of the hydrocarbon chain between the two polymorphs. This small change in the molecular conformation dramatically influences the packing of the anthraquinone ring systems; in one case the anthraquinone rings exist as discrete pairs, and in the other they exist in infinite lamellar stacks. Differences in the packing results in different thermal behavior and spectroscopic properties of the two polymorphs. The yellow, triclinic structure is lower melting, whereas the orange, monoclinic structure is higher melting. Uses of this compound as a model for de novo computation of crystal structures and tuning of crystal packing through side chain variation are discussed." @default.
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- W2023658861 date "2000-06-01" @default.
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- W2023658861 title "Polymorphism in a conformationally flexible substituted anthraquinone; a crystallographic, thermodynamic, and molecular modeling study" @default.
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- W2023658861 doi "https://doi.org/10.1016/s1463-0184(00)00031-9" @default.
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