Acta Crystallographica Section E (Aug 2012)

1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate

  • Xiu-Guang Wang,
  • Jian-Hui Li,
  • Bin Ding,
  • Gui-Xiang Du

DOI
https://doi.org/10.1107/S1600536812029273
Journal volume & issue
Vol. 68, no. 8
pp. o2394 – o2394

Abstract

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The asymmetric unit of the title compound, C10H8N6·2H2O, comprises half the organic species, the molecule being completed by inversion symmetry, and one water molecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water molecules form O—H...N hydrogen bonds with N-atom acceptors of the triazole rings. C—H...N hydrogen bonds are also observed, giving a three-dimensional framework.