J. Breu et al., ARENE-ARENE STACKING IN 6,6'-DIPHENYL-3,3'-BI-1,2,4,5-TETRAZINE AND 6-PHENYL-1,2,4,5-TETRAZINE-3-CARBALDEHYDE BENZOYLHYDRAZONE MONOHYDRATE, Acta crystallographica. Section C, Crystal structure communications, 52, 1996, pp. 936-940
Despite the demands of the stronger hydrogen-bonding interactions pres
ent in the crystal structures of the title compounds, C16H10N8 and C16
H12N6O.H2O, T-shaped and shifted pi-stacked arrangements of aromatic m
oieties are preferred, leading to herringbone and/or pi-stacked crysta
l-packing motifs. Therefore, in both these compounds the crystal packi
ng is in accordance with the theory of arene-arene interactions being
dominated by electrostatics.