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Crystal structure of aqua-chlorido-bis-(2-eth-oxy-6-formyl-phenolato-κ(2) O (1),O (6))iron(III) aceto-nitrile hemisolvate.

Jiang XF, Zhao RX, Zhang SH - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the crystal, O-H⋯O hydrogen bonds link the two independent mol-ecules to form a dimer.The solvent mol-ecule is linked to the complex mol-ecule by a weak C-H⋯O hydrogen bond.Further weak C-H⋯O inter-actions along with weak C-H⋯Cl hydrogen bonds link the components into chains parallel to [001].

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Bioengineering, Guilin University of Technology, 541004, People's Republic of China.

ABSTRACT
In the title compound, [Fe(L)2Cl(H2O)]·0.5CH3CN, (HL is 3-eth-oxy-2-hy-droxy-benzaldehyde, C9H10O3), there are two independent complex mol-ecules and one aceto-nitrile solvent mol-ecule in the asymmetric unit. In each complex mol-ecule, the Fe(III) ion has a distorted O5Cl octa-hedral coordination environment defined by two bidentate 2-eth-oxy-6-formyl-phenolato ligands, one Cl atom and one water mol-ecule. In the crystal, O-H⋯O hydrogen bonds link the two independent mol-ecules to form a dimer. The solvent mol-ecule is linked to the complex mol-ecule by a weak C-H⋯O hydrogen bond. Further weak C-H⋯O inter-actions along with weak C-H⋯Cl hydrogen bonds link the components into chains parallel to [001].

No MeSH data available.


The dimer structure showing displacement ellipsoids drawn at the 30% probability level for non-H atoms. Hydrogen bonds are shown as dashed lines. H atoms bonded to C atoms and the solvent mol­ecule are not shown.
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fig2: The dimer structure showing displacement ellipsoids drawn at the 30% probability level for non-H atoms. Hydrogen bonds are shown as dashed lines. H atoms bonded to C atoms and the solvent mol­ecule are not shown.

Mentions: In the crystal, O—H⋯O hydrogen bonds link the two independent mol­ecules to form a dimer (Table 2 ▶, Fig. 2 ▶). All –OH group H atoms act as donors for two acceptor-O atoms, forming (5) and (6) graph-set motifs. A π–π inter­action within the dimer with a Cg1⋯Cg2 distance of 3.575 (1)Å is observed, where Cg1 and Cg2 are the centroids defined by ring atoms C1–C6 and C19–C24, respectively. The solvent mol­ecule is linked to the complex mol­ecule by a weak C—H⋯O hydrogen bond. Further weak C—H⋯O inter­action along with weak C—H⋯Cl hydrogen bonds link the components into chains parallel to [001] (Fig. 3 ▶).


Crystal structure of aqua-chlorido-bis-(2-eth-oxy-6-formyl-phenolato-κ(2) O (1),O (6))iron(III) aceto-nitrile hemisolvate.

Jiang XF, Zhao RX, Zhang SH - Acta Crystallogr Sect E Struct Rep Online (2014)

The dimer structure showing displacement ellipsoids drawn at the 30% probability level for non-H atoms. Hydrogen bonds are shown as dashed lines. H atoms bonded to C atoms and the solvent mol­ecule are not shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257307&req=5

fig2: The dimer structure showing displacement ellipsoids drawn at the 30% probability level for non-H atoms. Hydrogen bonds are shown as dashed lines. H atoms bonded to C atoms and the solvent mol­ecule are not shown.
Mentions: In the crystal, O—H⋯O hydrogen bonds link the two independent mol­ecules to form a dimer (Table 2 ▶, Fig. 2 ▶). All –OH group H atoms act as donors for two acceptor-O atoms, forming (5) and (6) graph-set motifs. A π–π inter­action within the dimer with a Cg1⋯Cg2 distance of 3.575 (1)Å is observed, where Cg1 and Cg2 are the centroids defined by ring atoms C1–C6 and C19–C24, respectively. The solvent mol­ecule is linked to the complex mol­ecule by a weak C—H⋯O hydrogen bond. Further weak C—H⋯O inter­action along with weak C—H⋯Cl hydrogen bonds link the components into chains parallel to [001] (Fig. 3 ▶).

Bottom Line: In the crystal, O-H⋯O hydrogen bonds link the two independent mol-ecules to form a dimer.The solvent mol-ecule is linked to the complex mol-ecule by a weak C-H⋯O hydrogen bond.Further weak C-H⋯O inter-actions along with weak C-H⋯Cl hydrogen bonds link the components into chains parallel to [001].

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Bioengineering, Guilin University of Technology, 541004, People's Republic of China.

ABSTRACT
In the title compound, [Fe(L)2Cl(H2O)]·0.5CH3CN, (HL is 3-eth-oxy-2-hy-droxy-benzaldehyde, C9H10O3), there are two independent complex mol-ecules and one aceto-nitrile solvent mol-ecule in the asymmetric unit. In each complex mol-ecule, the Fe(III) ion has a distorted O5Cl octa-hedral coordination environment defined by two bidentate 2-eth-oxy-6-formyl-phenolato ligands, one Cl atom and one water mol-ecule. In the crystal, O-H⋯O hydrogen bonds link the two independent mol-ecules to form a dimer. The solvent mol-ecule is linked to the complex mol-ecule by a weak C-H⋯O hydrogen bond. Further weak C-H⋯O inter-actions along with weak C-H⋯Cl hydrogen bonds link the components into chains parallel to [001].

No MeSH data available.