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

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

{"title":"Synthesis, crystal structure, and Hirshfeld surface analysis of undecacarbonyl{tris[4-(methylsulfanyl)phenyl]arsine}-triangulo-triosmium(0)","authors":"Siti Syaida Sirat , Mohd Mustaqim Rosli , Sang Loon Tan , Ibrahim Abdul Razak , Omar bin Shawkataly","doi":"10.1107/S2056989025006541","DOIUrl":null,"url":null,"abstract":"<div><div>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(C<sub>6</sub>H<sub>4</sub>SCH<sub>3</sub>)<sub>3</sub>] occupies the equatorial position. In the crystal, the molecules are linked by C—H⋯O hydrogen bonds.</div></div><div><div>The title compound, [Os<sub>3</sub>(C<sub>21</sub>H<sub>21</sub>AsS<sub>3</sub>)(CO)<sub>11</sub>] or [Os<sub>3</sub>{As(C<sub>6</sub>H<sub>4</sub>SCH<sub>3</sub>)<sub>3</sub>}(CO)<sub>11</sub>], 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(C<sub>6</sub>H<sub>4</sub>SCH<sub>3</sub>)<sub>3</sub>] 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).</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 765-769"},"PeriodicalIF":0.6000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025001434","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}

引用次数: 0

Abstract

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).

查看原文本刊更多论文

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。

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)。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

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.

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

Abstract

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