Journal article

Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures ofN-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide

Thomas Fellowes, Martin P Van Koeverden, Jonathan M White

CrystEngComm | Royal Society of Chemistry | Published : 2020


The pyridine solvate of benzisoselenazolinone 1.pyridine is characterised by planar sheets of the benzisoselenazolinone 1 pierced by channels of pyridine molecules at an angle of 133°, the pyridine molecules are held in place by N⋯Se chalcogen bonding to the isoselenazolinone moiety. These channels, which extend through the structure to the surface of the crystal, provide a means for escape of pyridine from the lattice when the crystal is heated to ca. 100 °C. Upon loss of the pyridine from these channels the remaining molecules undergo rearrangement to fill the space and in doing so the N⋯Se chalcogen bond in 1.pyridine is replaced by a C[double bond, length as m-dash]O⋯Se chalcogen bond to..

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University of Melbourne Researchers


Funding Acknowledgements

We gratefully acknowledge Sirtex Medical for funding and the Australian Synchrotron for beamtime via the Collaborative Access Program (proposal 13618b). The Australian Research Council for a Post Graduate Scholarships (TF and MPVK).