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<p>The reaction of the labile tri-osmium carbonyl cluster, [Os₃(CO)₁₀(NCMe)₂] <b>1</b>, with 2-ethymercaptobenzothiazole <b>2</b> produced a novel hydrido­bridged tri­osmium complex, Os₃(CO)₁₀(μ-H){μ<sub>N,C</sub>-NC(SC₂H₅)SC₆H₃} <b>3</b> in moderate yield. The complex was formed via the regioselective C–H bond activation at the ortho-position of the ligand. The crystal structure of <b>3</b> demonstrated an N,C-bridging NC(SC<sub>2</sub>H<sub>5</sub>)SC<sub>6</sub>H<sub>3</sub> group coordinated to the two osmium atoms from the axial sites. The presence of the bridging hydride was confirmed by a distinctive resonance in the <sup>1</sup>H NMR spectroscopy at −13.12&#xa0;ppm, X-ray crystallography, and computational study. Compound <b>3</b> crystallized in the monoclinic crystal system, space group P2₁/n, a = 17.642(11) Å, b = 7.720(4) Å, c = 18.102(11) Å, β = 100.773(6)°, Z = 4. The molecular geometry of <b>3</b> was very close to its DFT optimized geometry, demonstrating the N,C-bridged motif's stability.</p> Graphical Abstract <p></p>

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Facile C–H Bond Activation of 2-Ethylmercaptobenzothiazole in a Tri-Osmium Carbonyl Cluster: Crystal Structure of Os3(CO)10(µ-H){µN,C-NC(SC2H5)SC6H3}

  • 期刊论文

  • 发表日期：

    2025年11月12日

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  • Md. Julhas A. Miah,
  • Md. Moshiur Rahaman,
  • Md. Wahidul Islam,
  • Tasneem A. Siddiquee,
  • Shafikul Islam,
  • Md. Manzurul Karim

摘要

The reaction of the labile tri-osmium carbonyl cluster, [Os₃(CO)₁₀(NCMe)₂] 1, with 2-ethymercaptobenzothiazole 2 produced a novel hydrido­bridged tri­osmium complex, Os₃(CO)₁₀(μ-H){μN,C-NC(SC₂H₅)SC₆H₃} 3 in moderate yield. The complex was formed via the regioselective C–H bond activation at the ortho-position of the ligand. The crystal structure of 3 demonstrated an N,C-bridging NC(SC2H5)SC6H3 group coordinated to the two osmium atoms from the axial sites. The presence of the bridging hydride was confirmed by a distinctive resonance in the 1H NMR spectroscopy at −13.12 ppm, X-ray crystallography, and computational study. Compound 3 crystallized in the monoclinic crystal system, space group P2₁/n, a = 17.642(11) Å, b = 7.720(4) Å, c = 18.102(11) Å, β = 100.773(6)°, Z = 4. The molecular geometry of 3 was very close to its DFT optimized geometry, demonstrating the N,C-bridged motif's stability.

Graphical Abstract