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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.

Hemman M, Pakawatchai C, Boonmak J, Youngme S, Saithong S - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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

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.

No MeSH data available.


Related in: MedlinePlus

The mol­ecular structure of (I) showing 50% probability displacement ellipsoids.
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fig1: The mol­ecular structure of (I) showing 50% probability displacement ellipsoids.

Mentions: The title complex [Cu2Br2(ATU)(dppm)2]·2CH3CN, (I), is shown in Fig. 1 ▸. The discrete neutral dinuclear complex contains an asymmetric triply bridged dicopper(I) core forming two six-membered rings in a chair conformation, Cu1—S1—Cu2—P1—C13—P2 and Cu1—S1—Cu2—P3—C38—P4, sharing the Cu1—S1—Cu2 part. Each CuI atom is coordinated by P atoms from the different dppm ligands, one μ2-S bridging atom of ATU and the bromide ion as a terminal ligand, forming a distorted tetra­hedral environment, as illus­trated by the range of angles around the Cu atoms [100.87 (2)– 116.49 (3)° for Cu1 and 97.45 (3)–119.31 (3)° for Cu2]. Both CuI atoms share a tetra­hedral corner via an S-atom bridge.


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.

Hemman M, Pakawatchai C, Boonmak J, Youngme S, Saithong S - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of (I) showing 50% probability displacement ellipsoids.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555395&req=5

fig1: The mol­ecular structure of (I) showing 50% probability displacement ellipsoids.
Mentions: The title complex [Cu2Br2(ATU)(dppm)2]·2CH3CN, (I), is shown in Fig. 1 ▸. The discrete neutral dinuclear complex contains an asymmetric triply bridged dicopper(I) core forming two six-membered rings in a chair conformation, Cu1—S1—Cu2—P1—C13—P2 and Cu1—S1—Cu2—P3—C38—P4, sharing the Cu1—S1—Cu2 part. Each CuI atom is coordinated by P atoms from the different dppm ligands, one μ2-S bridging atom of ATU and the bromide ion as a terminal ligand, forming a distorted tetra­hedral environment, as illus­trated by the range of angles around the Cu atoms [100.87 (2)– 116.49 (3)° for Cu1 and 97.45 (3)–119.31 (3)° for Cu2]. Both CuI atoms share a tetra­hedral corner via an S-atom bridge.

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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

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.

No MeSH data available.


Related in: MedlinePlus