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Broichhagen, Johannes; Klingl, Yvonne E.; Trauner, Dirk and Mayer, Peter (2016): 6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl] pyridin-3-amine monohydrate. In: Acta Crystallographica Section E-Crystallographic Communications, Vol. 72: 238-+ [PDF, 688kB]


The packing of the title compound, C12H9N7 center dot H2O, is dominated by hydrogen bonding and pi-stacking. Layers parallel to [ 010] are established by hydrogen bonds involving all amine donor functions and one of the water donor functions, while the remaining water donor function enables the stacking of the layers along [101], which is accompanied by pi-stacking. In the molecule, the plane of the central tetrazine ring forms angles of 5.33 (7) and 19.84 (8)degrees with the adjacent 3-amine-pyridine and pyridine rings, respectively.

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