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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Stoichiometric and polymorphic salt of imidazolium picrate monohydrate
1Renmin Hospital of Wuhan University, Wuhan 430060, People's Republic of China.
Abstract:
The asymmetric unit of the title co-crystal salt, 1H-imidazol-3-ium 2,4,6-tri-nitro-phenolate monohydrate, C4H7N2+·C6H2N3O7-·H2O, contains one imidazolium cation, one picrate anion and one solvent water mol-ecule 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 inter-actions 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 inter-penetrating 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.
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