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十一羰基{三-[4-(甲硫基)苯基]砷}三锇(0)的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure, and Hirshfeld surface analysis of undeca-carbon-yl{tris-[4-(methyl-sulfan-yl)phen-yl]arsine}--triosmium(0).

作者信息

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

机构信息

Faculty of Applied Sciences, Universiti Teknologi MARA, Cawangan Negeri Sembilan, Kampus Kuala Pilah, 72000 Kuala Pilah, Negeri Sembilan, Malaysia.

Atta-ur-Rahman Institute for Natural Product Discovery (AuRIns), Universiti Teknologi MARA, Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor, Malaysia.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Jul 29;81(Pt 8):765-769. doi: 10.1107/S2056989025006541. eCollection 2025 Aug 1.

Abstract

The title compound, [Os(CHAsS)(CO)] or [Os{As(CHSCH)}(CO)], 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(CHSCH)] occupies the equatorial position. In the crystal, the mol-ecules are linked by C-H⋯O hydrogen bonds. To further analyse the inter-molecular inter-actions, a Hirshfeld surface analysis was performed. Two out of the three methyl-sulfanyl 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).

摘要

标题化合物[Os(CHAsS)(CO)]或[Os{As(CHSCH)}(CO)]由一个Os原子三角形组成,其中两个Os原子与四个羰基配体相连。第三个Os原子与三个羰基配体相连,砷配体[As(CHSCH)]占据赤道位置。在晶体中,分子通过C-H⋯O氢键相连。为了进一步分析分子间相互作用,进行了 Hirshfeld 表面分析。三个甲硫基中的两个在两个位置上无序,最终精修占有率分别为0.612 (12):0.388 (12)和0.620 (9):0.380 (9)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67fe/12326488/f4a99c4d2cc1/e-81-00765-fig1.jpg

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