1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazidato-κ3O,N1,S](pyridine-κN)copper(II)

Vladimir V Bon,Svitlana I Orysyk,Vasily I Pekhnyo

doi:10.1107/s1600536810017381

Vladimir V Bon, Svitlana I Orysyk + Show 1 more

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https://doi.org/10.1107/s1600536810017381

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Abstract

In the structure of the title compound, [Cu(C14H11N3OS)(C5H5N)], the CuII atom exhibits a slightly distorted square-planar CuN2OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thioamide S atom from the tridentate thiosemicarbazonate dianion, and the N atom of a pyridine molecule. The thiosemicarbazonate ligand exists in the thiol tautomeric form as an E isomer. Rotational disorder of the pyridine and phenyl rings in a 1:1 ratio of the respective components is observed. An extensive network of weak N—H⋯S, C—H⋯O, C—H⋯N and C—H⋯S hydrogen-bonding interactions consolidates the structure.

Highlights

In the structure of the title compound, [Cu(C14H11N3OS)(C5H5N)], the CuII atom exhibits a slightly distorted squareplanar CuN2OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thioamide S atom from the tridentate thiosemicarbazonate dianion, and the N atom of a pyridine molecule
The thiosemicarbazonate ligand exists in the thiol tautomeric form as an E isomer
Symmetry codes: (i) −x+1/2, y+1/2, −z+3/2; (ii) x, y+1, z; (iii) −x+1, −y, −z+1

Summary

Bruker APEXII CCD diffractometer

H atoms treated by a mixture of independent and constrained refinement max = 0.33 e Å3. Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.004 Å; disorder in main residue; R factor = 0.038; wR factor = 0.080; data-to-parameter ratio = 11.2. In the structure of the title compound, [Cu(C14H11N3OS)(C5H5N)], the CuII atom exhibits a slightly distorted squareplanar CuN2OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thioamide S atom from the tridentate thiosemicarbazonate dianion, and the N atom of a pyridine molecule. The thiosemicarbazonate ligand exists in the thiol tautomeric form as an E isomer. Rotational disorder of the pyridine and phenyl rings in a 1:1 ratio of the respective components is observed. H S, C—H O, C—H N and C—H S hydrogenbonding interactions consolidates the structure

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