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(μ-N-烯丙基硫脲-κ(2) S:S)双-[μ-双(二苯基膦基)甲烷-κ(2) P:P']双-[溴化铜(I)]乙腈溶剂合物的晶体结构

Crystal structure of (μ-N-allyl-thio-urea-κ(2) S:S)bis-[μ-bis-(di-phenyl-phosphanyl)methane-κ(2) P:P']bis-[bromido-copper(I)] aceto-nitrile disolvate.

作者信息

Hemman Mareeya, Pakawatchai Chaveng, Boonmak Jaursup, Youngme Sujittra, Saithong Saowanit

机构信息

Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla, 90112, Thailand.

Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla, 90112, Thailand.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Aug 26;71(Pt 9):1081-4. doi: 10.1107/S2056989015015637. eCollection 2015 Sep 1.

Abstract

The reaction of cuprous bromide with a mixture of 1,1-bis-(di-phenyl-phosphan-yl)methane (dppm: C25H22P2) and N-allyl-thio-urea (ATU: C4H8N2S) in aceto-nitrile yielded the title solvated dinuclear complex, [Cu2Br2(C4H8N2S)(C25H22P2)2]·2C2H3N or [Cu2Br2(ATU)(dppm)2]·2CH3CN. Both Cu(+) ions adopt distorted tetra-hedral geometries, being coordinated by one terminal Br atom, one μ(2)-S atom of the bridging ATU ligand and two P atoms of the bridging dppm ligands. Within the complex, intra-molecular C-H⋯S, C-H⋯π, N-H⋯Br and π-π stacking inter-actions are observed. In the crystal, the components are linked by N-H⋯Br and C-H⋯N hydrogen bonds and weak π-π stacking inter-actions, generating chains propagating in the [100] direction.

摘要

溴化亚铜与1,1-双(二苯基膦基)甲烷(dppm:C₂₅H₂₂P₂)和N-烯丙基硫脲(ATU:C₄H₈N₂S)的混合物在乙腈中反应,生成了标题溶剂化双核配合物[Cu₂Br₂(C₄H₈N₂S)(C₂₅H₂₂P₂)₂]·2C₂H₃N或[Cu₂Br₂(ATU)(dppm)₂]·2CH₃CN。两个Cu(+)离子均采用扭曲的四面体几何构型,由一个端基Br原子、桥连ATU配体的一个μ(2)-S原子以及桥连dppm配体的两个P原子配位。在配合物内部,观察到分子内C-H⋯S、C-H⋯π、N-H⋯Br和π-π堆积相互作用。在晶体中,各组分通过N-H⋯Br和C-H⋯N氢键以及弱π-π堆积相互作用相连,形成沿[100]方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4134/4555395/ebf50fcd1c21/e-71-01081-fig1.jpg

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