Cocrystal of 4-Nitrophenol and 2,1,3-Benzoselenadizole

The 1:1 cocrystal of 4-nitrophenol (NP) and 2,1,3-benzoselenadiazole (BSA) was successfully synthesized. The X-ray single-crystal diffraction analysis revealed that the structure contained a [Se-N]2 cyclic supramolecular synthon. The synthons were connected into a one-dimensional ribbon by O-H & BULL;& BULL;& BULL;N hydrogen bonds and N-Se & BULL;& BULL;& BULL;O chalcogen bonds. Furthermore, adjacent ribbons were stabilized by the & pi;& BULL;& BULL;& BULL;& pi; stacking interactions between two 2,1,3-benzoselenadiazole molecules, leading to the formation of a two-dimensional network.

Automated summary

The 1:1 cocrystal of 4-nitrophenol and 2,1,3-benzoselenadiazole was synthesized successfully, and the X-ray single-crystal diffraction analysis revealed a [Se-N]2 cyclic supramolecular synthon in the structure. The molecules were connected by hydrogen bonds and chalcogen bonds to form a one-dimensional ribbon structure, and adjacent ribbons were stabilized by π stacking interactions to form a two-dimensional network.