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1H-1,2,4-Triazol-4-ium 4-nitro-benzene-sulfonate monohydrate.

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.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3201373 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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1H-1,2,4-Triazol-4-ium 4-nitro-benzene-sulfonate monohydrate.

Hemamalini Madhukar M Razak Ibrahim Abdul IA Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

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. ...[more]

PMID: 22065809

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