Abstract
The title compound represents the thallium(I) salt of a substituted 1,2,5-oxa-diazole, [Tl(C3H3N4O3)] n , with amino- and hydroxamate groups in the 4- and 3- positions of the oxa-diazole ring, respectively. In the crystal, the deprotonated hydroxamate group represents an inter-mediate between the keto/enol tautomers and forms a five-membered chelate ring with the thallium(I) cation. The coordination sphere of the cation is augmented to a distorted disphenoid by two monodentately binding O atoms from two adjacent anions, leading to the formation of zigzag chains extending parallel to the b axis. The cohesion within the chains is supported by π-π stacking [centroid-centroid distance = 3.746 (3) Å] and inter-molecular N-H⋯N hydrogen bonds.
Highlights
Substituted oxadiazoles attract attention because of their wide range of applications in organic synthesis as useful intermediates (Romeo & Chiacchio, 2011; Zlotin et al, 2017) and for drug design (Giorgis et al, 2011; Pal et al, 2017; Stepanov et al, 2015)
The standard synthetic procedures for oxadiazolecontaining scaffolds usually utilizes the dehydrative cyclization of bis-oximes, which is performed at high temperatures (Fershtat & Makhova, 2016; Romeo & Chiacchio, 2011) and often includes the introduction of different activating reagents (Shaposhnikov et al, 2003; Telvekar & Takale, 2013)
The introduction of dehydrating agents allows a significant decrease in the temperature during reaction, gave the possibility to synthesize substituted 1,2,5-oxadiazoles with various side functional groups
Summary
Substituted oxadiazoles attract attention because of their wide range of applications in organic synthesis as useful intermediates (Romeo & Chiacchio, 2011; Zlotin et al, 2017) and for drug design (Giorgis et al, 2011; Pal et al, 2017; Stepanov et al, 2015). The introduction of dehydrating agents allows a significant decrease in the temperature during reaction, gave the possibility to synthesize substituted 1,2,5-oxadiazoles with various side functional groups In this regard, we have adapted the synthetic procedure for 1,2,5oxadiazole with amino- and hydroxamate groups in the 4- and. The coordination sphere of the Tl1 cation in 1 is augmented to four by two monodentately binding O2 atoms of two adjacent oxadiazole moieties with distances of Tl1—O2ii = 2.880 (7) Aand Tl1—O2i = 2.761 (7) A [symmetry codes: (i) Àx, y + 12, Àz + 32; (ii) Àx, y À 12, Àz + 32] (Fig. 1). The Tl—O bond lengths involving the hydroxamate oxygen atoms in 1 are typical for TlI compounds (Salassa & Terenzi, 2019), and the formation of similar polymeric chains is frequently observed for TlI complexes (Akhbari et al, 2009). The closest contact between adjacent Tl1 cations within a zigzag chain is 3.7458 (5) A
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