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Structures of four polymorphs of the pesticide dithianon solved from X-ray powder diffraction data

The crystal structures of four polymorphs of the pesticide dithianon (5, 10-dihydro-, 10- dioxonaphtho[2, 3-b]-1, 4-dithiine-2, 3- dicarbonitrile) have been solved from powder diffraction data and refined using the Rietveld method. Three polymorphs crystallize in non- centrosymmetric space groups. Two polymorphs have Z' > 1. The structures are assembled via interactions between carbonyl groups of quinoid fragments into layers which further interact only by weak interactions.

powder diffraction ; crystal structure ; structure solution ; dithianon

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