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Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil

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A combined single-crystal X-ray diffraction and NMR crystallography study of a 1:1 cocrystal of two fungicides, namely dithianon and pyrimethanil, is presented. Specifically, the role of hydrogen bonding and C—H⋯π… Click to show full abstract

A combined single-crystal X-ray diffraction and NMR crystallography study of a 1:1 cocrystal of two fungicides, namely dithianon and pyrimethanil, is presented. Specifically, the role of hydrogen bonding and C—H⋯π and S⋯O intermolecular interactions is quantitatively investigated.

Keywords: dithianon pyrimethanil; ray diffraction; diffraction nmr; single crystal; crystal ray; nmr crystallography

Journal Title: Acta Crystallographica. Section C, Structural Chemistry
Year Published: 2017

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