4-(4-Hydroxybenzylideneamino)-4H-1,2,4-triazole hemihydrate

Abstract

In the title compound, 4‐(4H‐1,2,4‐triazol‐4‐yl­imino­methyl)­phenol hemi­hydrate, C9H8N4O·0.5H2O or (I)·0.5H2O, mol­ecules of (I) are arranged as layers running along the b axis through intermolecular O—H⋯N and C—H⋯O hydrogen bonds. These layers are stabilized by hydrogen‐bonded water mol­ecules to form three‐dimensional networks.

Dominant Role of C−Br···N Halogen Bond in Molecular Self-Organization. Crystallographic and Quantum-Chemical Study of Schiff-Base-Containing Triazoles

“…A common feature for this group of compounds is the tendency for creating hydrogen bond systems with the C−H groups as donors [C(8) and/or C(9)] and nitrogen atoms [N(1) and/or N(2)] or phenyl rings as acceptors. These interactions control molecular arrangement in all reported crystal structures of the aroyl Schiff bases of 4-amino-1,2,4-triazoles. , …”