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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

A chain in the structure of (I) mediated by N—H⋯Br hydrogen bonds and aromatic π–π stacking.
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fig3: A chain in the structure of (I) mediated by N—H⋯Br hydrogen bonds and aromatic π–π stacking.

Mentions: In the crystal, neighbouring dinuclear mol­ecules form a hydrogen-bonded dimer held together by two N—H⋯Br bonds as a cyclic pattern with its symmetry–equivalent partner, generated by a crystallographic inversion center (symmetry code: −x, 2 − y, −z), which generates (8) loops. Moreover, the dimers are linked together by very weak π–π stacking of the Cg8⋯Cg8iii rings [3.9338 (16) Å, symmetry code: (iii) 1 − x, 2 − y, −z] generating a chain of alternating N—H⋯Br links and π–π stacking running along [100], as shown in Fig. 3 ▸. The N atoms of the aceto­nitrile solvent mol­ecules both accept C—H⋯N inter­actions (C55—H55⋯N4ii and C50—H50⋯N3i; symmetry codes: (i) −x + 1, y + , −z + ; (ii) = −x, y − , −z + ) from the dppm phenyl rings. Numerical details of the hydrogen–bond geometry are given in Table 2 ▸.


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)

A chain in the structure of (I) mediated by N—H⋯Br hydrogen bonds and aromatic π–π stacking.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig3: A chain in the structure of (I) mediated by N—H⋯Br hydrogen bonds and aromatic π–π stacking.
Mentions: In the crystal, neighbouring dinuclear mol­ecules form a hydrogen-bonded dimer held together by two N—H⋯Br bonds as a cyclic pattern with its symmetry–equivalent partner, generated by a crystallographic inversion center (symmetry code: −x, 2 − y, −z), which generates (8) loops. Moreover, the dimers are linked together by very weak π–π stacking of the Cg8⋯Cg8iii rings [3.9338 (16) Å, symmetry code: (iii) 1 − x, 2 − y, −z] generating a chain of alternating N—H⋯Br links and π–π stacking running along [100], as shown in Fig. 3 ▸. The N atoms of the aceto­nitrile solvent mol­ecules both accept C—H⋯N inter­actions (C55—H55⋯N4ii and C50—H50⋯N3i; symmetry codes: (i) −x + 1, y + , −z + ; (ii) = −x, y − , −z + ) from the dppm phenyl rings. Numerical details of the hydrogen–bond geometry are given in Table 2 ▸.

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