Literature DB >> 21588339

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

Ming-Qiang Qiu1.   

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.

Entities:  

Year:  2010        PMID: 21588339      PMCID: PMC3007327          DOI: 10.1107/S1600536810008603

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  5 in total

1.  Two salts of 5-sulfosalicylic acid and 3-aminopyridine.

Authors:  Xiang Gao Meng; Chun Shan Zhou; Li Wang; Chang Lin Liu
Journal:  Acta Crystallogr C       Date:  2007-10-24       Impact factor: 1.172

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  Using cocrystals to systematically modulate aqueous solubility and melting behavior of an anticancer drug.

Authors:  Christer B Aakeröy; Safiyyah Forbes; John Desper
Journal:  J Am Chem Soc       Date:  2009-12-02       Impact factor: 15.419

4.  Three-dimensional networks in 5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate and bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate.

Authors:  Xiang-Gao Meng; Yi-Long Xiao; Zi-Liang Wang; Chang-Lin Liu
Journal:  Acta Crystallogr C       Date:  2008-01-12       Impact factor: 1.172

5.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  5 in total

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