Cocrystals of trithiocyanuric acid with 2,2′‐bipyridyl [1,3,5‐triazinane‐2,4,6‐trithione–2,2′‐bipyridine (2/1), 2C₃H₃N₃S₃·C₁₀H₈N₂, (I)] and 4‐methylbenzohydrazide [1,3,5‐triazinane‐2,4,6‐trithione–4‐methylbenzohydrazide (1/1), C₈H₁₀N₂O·C₃H₃N₃S₃, (II)] crystallize in the monoclinic crystal system. In the crystals, molecules of both components are linked by hydrogen bonds. The trithiocyanuric acid molecules are connected by N—H…S hydrogen bonds forming R₂²(8) synthons, which are further organized into chain motifs. Computations based on quantum chemistry methods have been performed for a more detailed description of the observed tautomerism of trithiocyanuric acid.

中文翻译：

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三硫氰尿酸：新型共晶体及其互变异构形式的分析

三硫氰尿酸与2,2'-联吡啶[1,3,5-三叠氮烷-2,4,6-三硫代-2-2,2'-联吡啶（2/1），2C ₃ H ₃ N ₃ S ₃ ·C的共晶体₁₀ H ₈ N ₂，（I）]和4-甲基苯并肼[1,3,5-三嗪烷-2,4,6-三硫酮–4-甲基苯并肼（1/1），C ₈ H ₁₀ N ₂ O·C ₃ H ₃ N ₃ S ₃，（II）]在单斜晶体系统中结晶。在晶体中，两种成分的分子都通过氢键连接。三硫氰尿酸分子通过NH…S氢键连接，形成R ₂ ²（8）合成子，并进一步组织成链基序。已经进行了基于量子化学方法的计算，以更详细地描述三硫氰尿酸的互变异构现象。