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[Hydrogen bis-(1,2,4-triazole)] 1,2,4-triazolium bis-(3-carb-oxy-4-hy-droxy-benzene-sulfonate) 1,2,4-triazole disolvate.

ABSTRACT: The title compound, C(2)H(4)N(3) (+)·[H(C(2)H(3)N(3))(2)](+)·2C(7)H(5)O(6)S(-)·2C(2)H(3)N(3), consists of two types of 1,2,4-triazole monocation, one protonated at the 2-site lying across a twofold axis and the other protonated at the 4-site with the H atom disordered over a center of symmetry, a 5-sulfosalicylate anion and a neutral 1,2,4-triazole mol-ecule. The component ions are linked into a three-dimensional network by a combination of N-H?O, N-H?N, O-H?O, O-H?N, C-H?O and C-H?N hydrogen bonds. In addition, benzene-benzene ?-? inter-actions of 3.942?(2)?Å [inter-planar spacing = 3.390?(2)?Å] and C-O?? (3.331?Å) inter-actions are observed.

SUBMITTER: Qiu MQ

PROVIDER: S-EPMC3007327 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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[Hydrogen bis-(1,2,4-triazole)] 1,2,4-triazolium bis-(3-carb-oxy-4-hy-droxy-benzene-sulfonate) 1,2,4-triazole disolvate.

Qiu Ming-Qiang MQ

Acta crystallographica. Section E, Structure reports online 20100717 Pt 8

The title compound, C(2)H(4)N(3) (+)·[H(C(2)H(3)N(3))(2)](+)·2C(7)H(5)O(6)S(-)·2C(2)H(3)N(3), consists of two types of 1,2,4-triazole monocation, one protonated at the 2-site lying across a twofold axis and the other protonated at the 4-site with the H atom disordered over a center of symmetry, a 5-sulfosalicylate anion and a neutral 1,2,4-triazole mol-ecule. The component ions are linked into a three-dimensional network by a combination of N-H⋯O, N-H⋯N, O-H⋯O, O-H⋯N, C-H⋯O and C-H⋯N hydrogen bo ...[more]

PMID: 21588339

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