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Crystal structures of (μ2-η(2),η(2)-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ(4) C (2),C (3):C (2),C (3))bis[tricarbonylcobalt(II)](Co-Co) and [μ2-η(2),η(2)-but-2-yne-1,4-diyl bis(2-bromo-2-methyl-propanoate)-κ(4) C (2),C (3):C (2),C (3)]bis[tricarbonylcobalt(II)](Co-Co).

McAdam CJ, Moratti SC, Robinson BH, Simpson J, Stanley RG - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: These combine with weak O⋯O and Br⋯O contacts to stack the mol-ecules into inter-connected columns along the b-axis direction.C-H⋯O and C-H⋯Br contacts stabilize the packing for (2), and a weak Br⋯O contact is also observed.Inter-connected columns of mol-ecules again form along the b-axis direction.

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Affiliation: Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.

ABSTRACT
The title compounds, [Co2(C8H11BrO3)(CO)6], (1), and [Co2(C12H16Br2O4)(CO)6], (2), result from the replacement of two carbonyl ligands from dicobalt octa-carbonyl by the alkynes 4-hy-droxy-but-2-ynyl 2-bromo-2-methyl-propano-ate and but-2-yne-1,4-diyl bis-(2-bromo-2-methyl-propano-ate), respectively. Both mol-ecules have classic tetra-hedral C2Co2 cluster cores with the Co(II) atoms in a highly distorted octa-hedral coordination geometry. The alkyne ligands both adopt a cis-bent conformation on coordination. In the crystal structure of (1), classical O-H⋯O and non-classical C-H⋯O contacts form inversion dimers. These combine with weak O⋯O and Br⋯O contacts to stack the mol-ecules into inter-connected columns along the b-axis direction. C-H⋯O and C-H⋯Br contacts stabilize the packing for (2), and a weak Br⋯O contact is also observed. Inter-connected columns of mol-ecules again form along the b-axis direction.

No MeSH data available.


Chains of mol­ecules of (2) formed by C—H⋯Br hydrogen bonds drawn as dashed lines. Symmetry operations are those detailed in Table 4 ▶.
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fig6: Chains of mol­ecules of (2) formed by C—H⋯Br hydrogen bonds drawn as dashed lines. Symmetry operations are those detailed in Table 4 ▶.

Mentions: Hydrogen bonding also figures prominently in the structure of (2), although in this mol­ecule no classical hydrogen bonds are possible. Bifurcated C3—H3B⋯O2 and C8–H8A⋯O2 contacts (Table 4 ▶) produce (7) rings while inversion-related C8—H8B⋯O4 hydrogen bonds form (10) rings (Fig. 5 ▶). The other significant contacts involve C—H⋯Br hydrogen bonds. C12—H12C⋯Br1 contacts link mol­ecules into (14) chains approximately parallel to [110] while C6—H6A⋯Br2 inter­actions, bolstered by short O1⋯Br2 contacts [3.296 (2) Å, symmetry operation x, −1 + y, z], form (12) chains parallel to [010] (Fig. 6 ▶). The net result of these contacts is a series of inter­connected columns of mol­ecules stacked along the b-axis direction (Fig. 7 ▶).


Crystal structures of (μ2-η(2),η(2)-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ(4) C (2),C (3):C (2),C (3))bis[tricarbonylcobalt(II)](Co-Co) and [μ2-η(2),η(2)-but-2-yne-1,4-diyl bis(2-bromo-2-methyl-propanoate)-κ(4) C (2),C (3):C (2),C (3)]bis[tricarbonylcobalt(II)](Co-Co).

McAdam CJ, Moratti SC, Robinson BH, Simpson J, Stanley RG - Acta Crystallogr Sect E Struct Rep Online (2014)

Chains of mol­ecules of (2) formed by C—H⋯Br hydrogen bonds drawn as dashed lines. Symmetry operations are those detailed in Table 4 ▶.
© Copyright Policy - open-access
Related In: Results  -  Collection

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Show All Figures
getmorefigures.php?uid=PMC4120535&req=5

fig6: Chains of mol­ecules of (2) formed by C—H⋯Br hydrogen bonds drawn as dashed lines. Symmetry operations are those detailed in Table 4 ▶.
Mentions: Hydrogen bonding also figures prominently in the structure of (2), although in this mol­ecule no classical hydrogen bonds are possible. Bifurcated C3—H3B⋯O2 and C8–H8A⋯O2 contacts (Table 4 ▶) produce (7) rings while inversion-related C8—H8B⋯O4 hydrogen bonds form (10) rings (Fig. 5 ▶). The other significant contacts involve C—H⋯Br hydrogen bonds. C12—H12C⋯Br1 contacts link mol­ecules into (14) chains approximately parallel to [110] while C6—H6A⋯Br2 inter­actions, bolstered by short O1⋯Br2 contacts [3.296 (2) Å, symmetry operation x, −1 + y, z], form (12) chains parallel to [010] (Fig. 6 ▶). The net result of these contacts is a series of inter­connected columns of mol­ecules stacked along the b-axis direction (Fig. 7 ▶).

Bottom Line: These combine with weak O⋯O and Br⋯O contacts to stack the mol-ecules into inter-connected columns along the b-axis direction.C-H⋯O and C-H⋯Br contacts stabilize the packing for (2), and a weak Br⋯O contact is also observed.Inter-connected columns of mol-ecules again form along the b-axis direction.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.

ABSTRACT
The title compounds, [Co2(C8H11BrO3)(CO)6], (1), and [Co2(C12H16Br2O4)(CO)6], (2), result from the replacement of two carbonyl ligands from dicobalt octa-carbonyl by the alkynes 4-hy-droxy-but-2-ynyl 2-bromo-2-methyl-propano-ate and but-2-yne-1,4-diyl bis-(2-bromo-2-methyl-propano-ate), respectively. Both mol-ecules have classic tetra-hedral C2Co2 cluster cores with the Co(II) atoms in a highly distorted octa-hedral coordination geometry. The alkyne ligands both adopt a cis-bent conformation on coordination. In the crystal structure of (1), classical O-H⋯O and non-classical C-H⋯O contacts form inversion dimers. These combine with weak O⋯O and Br⋯O contacts to stack the mol-ecules into inter-connected columns along the b-axis direction. C-H⋯O and C-H⋯Br contacts stabilize the packing for (2), and a weak Br⋯O contact is also observed. Inter-connected columns of mol-ecules again form along the b-axis direction.

No MeSH data available.