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Crystal structure of an unknown solvate of {2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato-κ(4) O,N,N',O'}(N-ferrocenylisonicotinamide-κN (1))cobalt(II): a Co(II)-salen complex that forms hydrogen-bonded dimers.

Brautigam B, Herholdt C, Farnsworth W, Brudi E, McDonald E, Wu G, Contakes S - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The involvement of only half of the salen ring structure in hydrogen-bonding inter-actions results in slight folding of the salen ring away from the pyridine coordination site in the δ conformer with an inter-salicyl-idene fold angle of 9.9 (7)°.The dimers pack into an open structure containing channels filled with highly disordered solvent mol-ecules.C71, 9-18] available in PLATON.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Westmont College, 955 La Paz Road, Santa Barbara, CA 93108, USA.

ABSTRACT
The title compound, [CoFe(C5H5)(C16H14N2O2)(C11H9N2O)], was prepared as an air-stable red-brown solid by mixing equimolar amounts of {2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}cobalt(II) and N-ferrocenylisonicotinamide in dry di-chloro-methane under nitro-gen and was characterized by ESI-MS, IR, and single-crystal X-ray diffraction. The structure at 100 K has triclinic (P-1) symmetry and indicates that the complex crystallizes as a mixture of λ and δ conformers. It exhibits the expected square pyramidal geometry about Co, and forms hydrogen-bonded dimers through amide N-H groups and phenolate O atoms on an adjacent mol-ecule. The involvement of only half of the salen ring structure in hydrogen-bonding inter-actions results in slight folding of the salen ring away from the pyridine coordination site in the δ conformer with an inter-salicyl-idene fold angle of 9.9 (7)°. In contrast, the λ conformer is nearly planar. The dimers pack into an open structure containing channels filled with highly disordered solvent mol-ecules. These solvent molecules' contributions to the intensity data were removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18] available in PLATON.

No MeSH data available.


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The asymmetric unit of the title compound, showing the atom-naming scheme. Only the δ conformer is depicted for clarity. The displacement ellipsoids are shown at the 50% probability level.
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fig1: The asymmetric unit of the title compound, showing the atom-naming scheme. Only the δ conformer is depicted for clarity. The displacement ellipsoids are shown at the 50% probability level.

Mentions: The title compound crystallizes as a 58.3 (12)/41.7 (12)% mixture of its λ and δ chelate ring conformers. In both cases the coordination environment of the CoII ion is roughly square pyramidal (Fig. 1 ▸), although the CoII ion is displaced 0.15 Å away from the N2O2 plane of the salen and towards the axial N atom. A similar 0.20 Å displacement is observed in the structure of [CoII(salen)(py)] (Calligaris et al., 1970 ▸). The average CoII–Neq and CoII—O bond lengths in the present complex are 1.88 and 1.90 Å, both significantly shorter than the Co—Nax bond length of 2.159 (4) Å. The equatorial bond lengths are in good agreement with those observed for other pyridine complexes of Co(salen), although the axial Co—N bond length is more similar to the 2.10 (2) Å distance observed for [CoII(salen)(py)] than the shorter 1.896 Å distance observed for the more highly oxidized [CoIII(salen)(py)2]+ (Shi et al., 1995 ▸).


Crystal structure of an unknown solvate of {2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato-κ(4) O,N,N',O'}(N-ferrocenylisonicotinamide-κN (1))cobalt(II): a Co(II)-salen complex that forms hydrogen-bonded dimers.

Brautigam B, Herholdt C, Farnsworth W, Brudi E, McDonald E, Wu G, Contakes S - Acta Crystallogr E Crystallogr Commun (2015)

The asymmetric unit of the title compound, showing the atom-naming scheme. Only the δ conformer is depicted for clarity. The displacement ellipsoids are shown at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555431&req=5

fig1: The asymmetric unit of the title compound, showing the atom-naming scheme. Only the δ conformer is depicted for clarity. The displacement ellipsoids are shown at the 50% probability level.
Mentions: The title compound crystallizes as a 58.3 (12)/41.7 (12)% mixture of its λ and δ chelate ring conformers. In both cases the coordination environment of the CoII ion is roughly square pyramidal (Fig. 1 ▸), although the CoII ion is displaced 0.15 Å away from the N2O2 plane of the salen and towards the axial N atom. A similar 0.20 Å displacement is observed in the structure of [CoII(salen)(py)] (Calligaris et al., 1970 ▸). The average CoII–Neq and CoII—O bond lengths in the present complex are 1.88 and 1.90 Å, both significantly shorter than the Co—Nax bond length of 2.159 (4) Å. The equatorial bond lengths are in good agreement with those observed for other pyridine complexes of Co(salen), although the axial Co—N bond length is more similar to the 2.10 (2) Å distance observed for [CoII(salen)(py)] than the shorter 1.896 Å distance observed for the more highly oxidized [CoIII(salen)(py)2]+ (Shi et al., 1995 ▸).

Bottom Line: The involvement of only half of the salen ring structure in hydrogen-bonding inter-actions results in slight folding of the salen ring away from the pyridine coordination site in the δ conformer with an inter-salicyl-idene fold angle of 9.9 (7)°.The dimers pack into an open structure containing channels filled with highly disordered solvent mol-ecules.C71, 9-18] available in PLATON.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Westmont College, 955 La Paz Road, Santa Barbara, CA 93108, USA.

ABSTRACT
The title compound, [CoFe(C5H5)(C16H14N2O2)(C11H9N2O)], was prepared as an air-stable red-brown solid by mixing equimolar amounts of {2,2'-[ethane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenolato}cobalt(II) and N-ferrocenylisonicotinamide in dry di-chloro-methane under nitro-gen and was characterized by ESI-MS, IR, and single-crystal X-ray diffraction. The structure at 100 K has triclinic (P-1) symmetry and indicates that the complex crystallizes as a mixture of λ and δ conformers. It exhibits the expected square pyramidal geometry about Co, and forms hydrogen-bonded dimers through amide N-H groups and phenolate O atoms on an adjacent mol-ecule. The involvement of only half of the salen ring structure in hydrogen-bonding inter-actions results in slight folding of the salen ring away from the pyridine coordination site in the δ conformer with an inter-salicyl-idene fold angle of 9.9 (7)°. In contrast, the λ conformer is nearly planar. The dimers pack into an open structure containing channels filled with highly disordered solvent mol-ecules. These solvent molecules' contributions to the intensity data were removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9-18] available in PLATON.

No MeSH data available.


Related in: MedlinePlus