十一碳基{三-[4-（甲基磺胺基）苯基]胂}-三胺三锇(0)的合成、晶体结构和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-08-01 DOI:10.1107/S2056989025006541

Siti Syaida Sirat , Mohd Mustaqim Rosli , Sang Loon Tan , Ibrahim Abdul Razak , Omar bin Shawkataly

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引用次数: 0

摘要

标题化合物[Os3(C21H21AsS3)(CO)11]或[Os3{As(C6H4SCH3)3}(CO)11]由一个三角形的Os原子组成，其中两个原子与四个羰基配体相连。第三个Os原子与三个羰基配体结合，砷配体[As(C6H4SCH3)3]位于赤道位。在晶体中，分子由C-H⋯O氢键连接。为了进一步分析分子间的相互作用，进行了Hirshfeld表面分析。3个甲基磺胺基中有2个在两个位点上无序，最终精化占有率分别为0.612(12):0.388（12）和0.620(9):0.380(9)。

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Synthesis, crystal structure, and Hirshfeld surface analysis of undecacarbonyl{tris[4-(methylsulfanyl)phenyl]arsine}-triangulo-triosmium(0)

The title compound comprises a triangle of Os atoms, two of which are bonded to four carbonyl ligands. The third Os atom is bound to three carbonyl ligands, and the arsine ligand [As(C₆H₄SCH₃)₃] occupies the equatorial position. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds.

The title compound, [Os₃(C₂₁H₂₁AsS₃)(CO)₁₁] or [Os₃{As(C₆H₄SCH₃)₃}(CO)₁₁], comprises a triangle of Os atoms, two of which are bonded to four carbonyl ligands. The third Os atom is bound to three carbonyl ligands, and the arsine ligand [As(C₆H₄SCH₃)₃] occupies the equatorial position. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Two out of the three methylsulfanyl groups are disordered over two sites with final refinement occupancy ratios of 0.612 (12):0.388 (12) and 0.620 (9):0.380 (9).

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.