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Despite the demands of the stronger hydrogen-bonding interactions present in the crystal structures of the title compounds, C16H10N8 and C16H12N6O.H2O, T-shaped and shifted π-stacked arrangements of aromatic moieties are preferred, leading to herringbone and/or π-stacked crystal-packing motifs. Therefore, in both these compounds the crystal packing is in accordance with the theory of arene–arene interactions being dominated by electrostatics.