Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)

organic compounds

Acta Cryst. (2012). E68, o2700-o2701    [ doi:10.1107/S1600536812034691 ]


B. Liu, J. P. C. Tomé, L. Cunha-Silva and F. A. Almeida Paz

Abstract: The asymmetric unit of the title compound, C4H5N7, comprises two independent but virtually superimposable mol­ecules. Each mol­ecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N-H...N hydrogen-bond inter­actions. Individual mol­ecules are arranged into supra­molecular zigzag chains running parallel to [001] by way of the strongest N-H...N inter­actions. Adjacent chains are inter­connected by rather long (D...A distances range from ca 3.00 to 3.03 Å) but highly directional (inter­action angles above ca 173°) hydrogen bonds forming a supra­molecular layer in the bc plane.

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