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

A.-C. Pöppler, E. K. Corlett, H. Pearce, M. P. Seymour, M. Reid, M. G. Montgomery and S. P. Brown

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.

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

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