JOURNAL ARTICLE

[Hydrogen bis(1,2,4-triazole)] 1,2,4-triazolium bis(3-carboxy-4-hydroxybenzenesulfonate) 1,2,4-triazole disolvate

Mingqiang Qiu

Year: 2010 Journal:   Acta Crystallographica Section E Structure Reports Online Vol: 66 (8)Pages: o2029-o2029   Publisher: International Union of Crystallography

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 π-π inter-actions of 3.942 (2) Å [inter-planar spacing = 3.390 (2) Å] and C-O⋯π (3.331 Å) inter-actions are observed.

Keywords:
Triazole 1,2,4-Triazole Chemistry Medicinal chemistry 1,2,3-Triazole Hydrogen Combinatorial chemistry Organic chemistry

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Topics

Crystal structures of chemical compounds
Physical Sciences →  Chemistry →  Inorganic Chemistry
Synthesis and Characterization of Heterocyclic Compounds
Physical Sciences →  Chemistry →  Organic Chemistry
Phenothiazines and Benzothiazines Synthesis and Activities
Life Sciences →  Biochemistry, Genetics and Molecular Biology →  Molecular Biology

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