四-（μ-4-苄基-4-1,2,4-三唑-κ:N）四氟化二-μ-氧代-二氧化二银（I）二钒（V）的晶体结构

Senchyk Ganna A, Lysenko Andrey B, Rusanov Eduard B, Domasevitch Kostiantyn V

Inorganic Chemistry Department, Taras Shevchenko National University of Kyiv, Volodymyrska Street, 64, Kyiv 01033, Ukraine.

Institute of Organic Chemistry, Murmanska Street, 5, Kyiv, 02660, Ukraine.

Acta Crystallogr E Crystallogr Commun. 2022 Mar 15;78(Pt 4):399-403. doi: 10.1107/S2056989022001712. eCollection 2022 Apr 1.

The crystal structure of the title compound, [Ag(VOF)(CHN)], is presented. The mol-ecular complex is based on the heterobimetallic Ag-V fragment {Ag (VOF)()} supported by four 1,2,4-triazole ligands [4-benzyl-(4-1,2,4-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 [VOFN] 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⋯ 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.

本文报道了标题化合物[Ag(VOF)(CHN)]的晶体结构。分子络合物基于由四个1,2,4-三唑配体[4-苄基-(4-1,2,4-三唑-4-基)]支撑的异双金属Ag-V片段{Ag (VOF)()}。三唑官能团分别通过[-NN-]双桥和单桥展示了金属中心的同金属和异金属连接性(Ag-Ag和Ag-V)。钒原子具有扭曲的三角双锥配位环境[VOFN]，里德伊克结构参数τ = 0.59。在晶体中，观察到涉及有机配体和氧氟钒阴离子的C-H⋯O和C-H⋯F氢键以及C-H⋯接触。还描述了氢键相互作用的 Hirshfeld 表面分析。