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Crystal structure of tetra-kis-(μ-4-benzyl-4H-1,2,4-triazole-κ² N ¹:N ²)tetra-fluoridodi-μ₂-oxido-dioxidodisilver(I)divanadium(V).

ABSTRACT: The crystal structure of the title compound, [Ag₂(VO₂F₂)₂(C₉H₉N₃)₄], is presented. The mol-ecular complex is based on the heterobimetallic Ag^I-V^V fragment {Ag^I ₂(V^VO₂F₂)₂(tr)₄} supported by four 1,2,4-triazole ligands [4-benzyl-(4H-1,2,4-triazol-4-yl)]. The triazole functional group demonstrates homo- and heterometallic connectivity (Ag-Ag and Ag-V) of the metal centers through the [-NN-] double and single bridges, respectively. The vanadium atom possesses a distorted trigonal-bipyramidal coordination environment [VO₂F₂N] with the Reedijk structural parameter τ = 0.59. In the crystal, C-H⋯O and C-H⋯F hydrogen bonds as well as C-H⋯π contacts are observed involving the organic ligands and the vanadium oxofluoride anions. A Hirshfeld surface analysis of the hydrogen-bonding inter-actions is also described.

SUBMITTER: Senchyk GA

PROVIDER: S-EPMC8983979 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of tetra-kis-(μ-4-benzyl-4H-1,2,4-triazole-κ2 N 1:N 2)tetra-fluoridodi-μ2-oxido-dioxidodisilver(I)divanadium(V).

Senchyk Ganna A GA Lysenko Andrey B AB Rusanov Eduard B EB Domasevitch Kostiantyn V KV

Acta crystallographica. Section E, Crystallographic communications 20220315 Pt 4

The crystal structure of the title compound, [Ag2(VO2F2)2(C9H9N3)4], is presented. The mol-ecular complex is based on the heterobimetallic AgI-VV fragment {AgI 2(VVO2F2)2(tr)4} supported by four 1,2,4-triazole ligands [4-benzyl-(4H-1,2,4-triazol-4-yl)]. The triazole functional group demonstrates ho ...[more]

PMID: 35492271

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Project description:The asymmetric unit of the title compound, [{Sn(C4H9)2(C6H5COO)}2O]2, consists of two half molecules, completed by application of inversion symmetry. Both mol-ecules adopt a ladder structure typical for this class of dimeric tetra-organodistannoxane di-carboxyl-ates characterized by a centrosymmetric four-membered (Sn-O)2 ring of rhomboidal shape that is extended on both sides by folded six-membered Sn-O-C rings. To a first approximation, both kinds of Sn atoms (Sn i and Sn o ) are trigonal-bipyramidally coordinated. The bond angles between the n-butyl groups are widened [135.64 (7)-146.20 (7)°] in comparison with an ideal trigonal bipyramid. Sn-O bond lengths within the {R2SnO3} coordination sphere depend strongly on the position of the corresponding O atom - axial (ax) or equatorial (eq) - as well as on the functionality of the carboxyl-ate groups which exhibit μ2 (-COO i ) and μ1 (-COO o ) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sn o -Oμ3) eq [2.024 (2) Å] < d(Sn i -Oμ3) eq [2.044 (2) Å] < d(Sn i -Oμ3) ax [2.158 (6) Å] < d(Sn o -Oμ1-carb) ax [2.182 (6) Å] < d(Sn i -Oμ2-carb) ax [2.250 (2) Å] ≃ d(Sn o -Oμ2-carb) ax [2.247 (12) Å]. The n-butyl groups adopt an anti-anti conformation with exception of two disordered outer n-butyl groups of the second mol-ecule which exhibit gauche-anti and anti-gauche conformations. Weak intra-molecular Sn⋯O inter-actions between the different O atoms of the outer carboxyl groups with the inner, as well as outer, Sn atoms give rise to a strongly distorted octa-hedral coordination at these Sn atoms. Inter-molecular inter-actions between the individual mol-ecules are restricted to van der Waals and O⋯H-C inter-actions of which a nearly linear very short C-H⋯O contact between the H atom of the phenyl group of one of the mol-ecules with the outer non-coordinating C=O group of the other molecule is the most prominent. It gives rise to a chain-like arrangement of the mol-ecules along [111]. The two n-butyl groups attached to the outer Sn atom of one mol-ecule are disordered over two sets of sites with occupancies of 0.806 (3)/0.194 (3) and 0.702 (3)/0.298 (3).

Dataset Information

Crystal structure of tetra-kis-(μ-4-benzyl-4H-1,2,4-triazole-κ² N ¹:N ²)tetra-fluoridodi-μ₂-oxido-dioxidodisilver(I)divanadium(V).

Publications

Crystal structure of tetra-kis-(μ-4-benzyl-4<i>H</i>-1,2,4-triazole-κ<sup>2</sup> <i>N</i> <sup>1</sup>:<i>N</i> <sup>2</sup>)tetra-fluoridodi-μ<sub>2</sub>-oxido-dioxidodisilver(I)divanadium(V).

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