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Crystal structure of poly[(?3-4-amino-1,2,5-oxa-diazole-3-hydroxamato)thallium(I)].

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 ?-? stacking [centroid-centroid distance = 3.746?(3)?Å] and inter-molecular N-H?N hydrogen bonds.

SUBMITTER: Safyanova IS

PROVIDER: S-EPMC7057383 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of poly[(μ3-4-amino-1,2,5-oxa-diazole-3-hydroxamato)thallium(I)].

Safyanova Inna S IS Bondar Oksana A OA Pavlishchuk Anna V AV Omelchenko Iryna V IV Iskenderov Turganbay S TS Kalibabchuk Valentina A VA

Acta crystallographica. Section E, Crystallographic communications 20200211 Pt 3

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 t ...[more]

PMID: 32148870

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