Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate

Acta Crystallogr E Crystallogr Commun. 2017 Oct 31;73(Pt 11):1793-1796. doi: 10.1107/S2056989017015328. eCollection 2017 Nov 1.

Abstract

The structure of the title co-crystal, C24H16N6·4.75H2O2, consists of a 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine coformer and hydrogen peroxide solvent mol-ecules in an overall ratio of 1:4.75. Three of the six H2O2 mol-ecules modelled in the structure were found to be cross-orientationally disordered over two positions with occupancy ratios 0.846 (9):0.154 (9), 0.75 (2):0.25 (2), and 0.891 (9):0.109 (9). In the crystal, all of the peroxide mol-ecules are linked into hydrogen-bonded chains that propagate parallel to the a axis. These chains are further linked by O-H⋯N hydrogen bonds to the pyridine groups of the main mol-ecule.

Keywords: H-bonded chain; crystal structure; disorder; peroxosolvate.

Grants and funding

This work was funded by Russian Foundation for Basic Research grant 17–03-00762.