Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 2 (February 2007)

organic compounds

fa3049 scheme

Acta Cryst. (2007). C63, o93-o95 [ doi:10.1107/S0108270106052401 ]

3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt

N. Liu, A.-L. Cheng and E.-Q. Gao

Abstract: In 3,4-di-2-pyridyl-1,2,5-oxadiazole (dpo), C₁₂H₈N₄O, each molecule resides on a twofold axis and interacts with eight neighbours via four C-HN and four C-HO interactions to generate a three-dimensional hydrogen-bonded architecture. In the perchlorate analogue, 2-[3-(2-pyridyl)-1,2,5-oxadiazol-4-yl]pyridinium perchlorate, C₁₂H₉N₄O⁺·ClO₄^- or [Hdpo]ClO₄, the [Hdpo]⁺ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intramolecular NHN hydrogen bond. The cations and perchlorate anions are linked through C-HO hydrogen bonds and [pi] - [pi] stacking interactions to form one-dimensional tubes along the b-axis direction.

Formula: C₁₂H₈N₄O and C₁₂H₉N₄O⁺·ClO₄^-


	Structure factor file (CIF format) (34.0 kbytes) [ doi:10.1107/S0108270106052401/fa3049Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (80.5 kbytes) [ doi:10.1107/S0108270106052401/fa3049IIsup3.hkl ] Contains datablock II

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