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1H-1,2,4-Triazol-4-ium 4-nitro-benzene-sulfonate monohydrate
Madhukar Hemamalini1, Ibrahim Abdul Razak, Hoong-Kun Fun
1X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Abstract:
In the 4-nitro-benzene sulfonate anion of the title compound, C(2)H(4)N(3) (+)·C(6)H(4)NO(5)S(-)·H(2)O, the nitro group is slightly twisted from the plane of the benzene ring [dihedral angle = 2.8 (3)°]. In the crystal, the three components are linked via N-H⋯O, O-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. A short inter-molecular O⋯N contact of 2.872 (3) Å is also observed between the nitro and sulfonate groups.
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