Stoichiometric and polymorphic salt of imidazolium picrate monohydrate

Acta Crystallographica Section E: Crystallographic Communications

Liu, L.¹ 

[1] Renmin Hospital of Wuhan University, Wuhan 430060, People's Republic of China

关键词: CRYSTAL STRUCTURE;    CO-CRYSTAL SALT;    IMIDAZOLE;    PICRIC ACID;   

DOI  :  10.1107/S2056989017016401

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title co-crystal salt, 1H-imidazol-3-ium 2,4,6-tri­nitro­phenolate monohydrate, C4H7N2+·C6H2N3O7−·H2O, contains one imidazolium cation, one picrate anion and one solvent water mol­ecule of crystallization. The phenolic proton has been transferred to an imidazole N atom. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds into a three-dimensional network which is further consolidated by weak C—H⋯O hydrogen bonds. In addition, π–π stacking inter­actions occur between pairs of imidazolium cations and picrate anions. If only the classical N—H⋯O and O—H⋯O hydrogen bonds are considered, the component ions are linked into a three-dimensional threefold inter­penetrating network of the topological type utp [or (10,3)-d]. Hirshfeld surface analysis indicates the crystal structure is mainly stabilized by H⋯·O contacts of the hydrogen bonds.

【 授权许可】

CC BY