Acta Cryst. (2013). C69, 158-161 [ doi:10.1107/S0108270112050767 ]
Abstract: The asymmetric unit of the title compound, C6H5N3O, consists of discrete molecules of 9-deazahypoxanthine [systematic name: 3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one]. The structure displays N-HO hydrogen bonding, connecting the molecules into centrosymmetric dimers. These dimers are then connected by N-HN hydrogen bonds into a ladder-like chain along the c axis. The secondary structure is stabilized by weak noncovalent contacts of the C-HO and C-HC types, as well as by - stacking interactions, which organize the structure into a zigzag architecture.
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