Abstract
In the structures of the 2,6-bis-(1,2,4-triazoly-3-yl)methyl-substituted pyridine compound, C11H11N7, (I) and the iodide triiodide salt, C13H17N7 (2+)·I(-)·I3 (-), (II), the dihedral angles between the two triazole rings and the pyridine ring are 66.4 (1) and 74.6 (1)° in (I), and 68.4 (2)° in (II), in which the dication lies across a crystallographic mirror plane. The overall packing structure for (I) is two-dimensional with the layers lying parallel to the (001) plane. In (II), the triiodide anion lies within the mirror plane, occupying the space between the two triazole substituent groups and was found to have minor disorder [occupancy ratio 0.9761 (9):0.0239 (9)]. The overall packing of structure (II) can be described as two-dimensional with the layers stacking parallel to the (001) plane. In the crystal, the predominant inter-molecular inter-actions in (I) and (II) involve the acidic hydrogen atom in the third position of the triazole ring, with either the triazole N-atom acceptor in weak C-H⋯N hydrogen bonds in (I), or with halide counter-ions through C-H⋯I inter-actions, in (II).
Highlights
In the structures of the 2,6-bis(1,2,4-triazoly-3-yl)methyl-substituted pyridine compound, C11H11N7, (I) and the iodide triiodide salt, C13H17N72+II3, (II), the dihedral angles between the two triazole rings and the pyridine ring are
66.4 (1) and 74.6 (1) in (I), and 68.4 (2) in (II), in which the dication lies across a crystallographic mirror plane
In (II), the triiodide anion lies within the mirror plane, occupying the space between the two triazole substituent groups and was found to have minor disorder [occupancy ratio
Summary
1,2,4-Triazole analogs first found applications in the pharmaceutical field as antifungal and antibacterial agents over 30 years ago. Recent developments are reviewed by Peng et al. 1,2,4-triazole rings have been incorporated into ligands used in coordination compounds and polymers (Haasnoot, 2000; Aromıet al., 2011; Ouellette et al, 2011). Related triazolium salts are being used as cations in ionic liquids (Porcar et al, 2013; Meyer & Strassner, 2011; Singh et al, 2006), or as precursors to N-heterocyclic carbenes (Lin et al, 2014; Strassner et al, 2013; Huynh & Lee, 2013; Riederer et al, 2011). To better understand the suitability of the title compounds for use as ligands for the formation of lanthanide complexes, we became interested in the predominant interactions of 1,2,4triazole rings in the solid state.
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