Crystal structure of ({(1R,2R)-N,N′0-bis[(quinolin- 2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron( III))-μ-oxido-[trichloridoferrate(III)] chloroform Monosolvate

Hannah Swift, Molly W. Carrig, Kayode Oshin, Anastasiya I. Vinokur, John A. Desper, Christopher J. Levy

Research output: Contribution to journalArticle

Abstract

The first FeIII atom in the solvated title compound, [Fe2Cl4O(C26H28N4)]·CHCl3, adopts a distorted six-coordinate octahedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclo hexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second FeIII atom, which is also bonded to three chloride ions. A very weak intramolecular N-H·Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloroform solvent molecules. Although the Fe-Cl bond lengths for the two metal atoms are comparable to the mean Fe-Cl bond lengths as derived from the Cambridge Structural Database, the Fe-O bond lengths are notably shorter. The solvent chloroform molecule exhibits 'flip' disorder of the C-H moiety in a 0.544(3):0.456 (3) ratio. The only directional interaction noted is a weak C-H·Cl hydrogen bond.

Original languageEnglish (US)
Pages (from-to)936-940
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume73
DOIs
StatePublished - Jan 1 2017

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quinoline
Cyclohexane
diamines
Chloroform
Chlorine compounds
chloroform
cyclohexane
Bond length
Crystal structure
Atoms
crystal structure
Ligands
ligands
atoms
Chlorides
Hydrogen bonds
chlorides
hydrogen bonds
Molecules
Diamines

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Crystal structure of ({(1R,2R)-N,N′0-bis[(quinolin- 2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron( III))-μ-oxido-[trichloridoferrate(III)] chloroform Monosolvate. / Swift, Hannah; Carrig, Molly W.; Oshin, Kayode; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 73, 01.01.2017, p. 936-940.

Research output: Contribution to journalArticle

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abstract = "The first FeIII atom in the solvated title compound, [Fe2Cl4O(C26H28N4)]·CHCl3, adopts a distorted six-coordinate octahedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclo hexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second FeIII atom, which is also bonded to three chloride ions. A very weak intramolecular N-H·Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloroform solvent molecules. Although the Fe-Cl bond lengths for the two metal atoms are comparable to the mean Fe-Cl bond lengths as derived from the Cambridge Structural Database, the Fe-O bond lengths are notably shorter. The solvent chloroform molecule exhibits 'flip' disorder of the C-H moiety in a 0.544(3):0.456 (3) ratio. The only directional interaction noted is a weak C-H·Cl hydrogen bond.",
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AU - Levy, Christopher J.

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N2 - The first FeIII atom in the solvated title compound, [Fe2Cl4O(C26H28N4)]·CHCl3, adopts a distorted six-coordinate octahedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclo hexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second FeIII atom, which is also bonded to three chloride ions. A very weak intramolecular N-H·Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloroform solvent molecules. Although the Fe-Cl bond lengths for the two metal atoms are comparable to the mean Fe-Cl bond lengths as derived from the Cambridge Structural Database, the Fe-O bond lengths are notably shorter. The solvent chloroform molecule exhibits 'flip' disorder of the C-H moiety in a 0.544(3):0.456 (3) ratio. The only directional interaction noted is a weak C-H·Cl hydrogen bond.

AB - The first FeIII atom in the solvated title compound, [Fe2Cl4O(C26H28N4)]·CHCl3, adopts a distorted six-coordinate octahedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclo hexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second FeIII atom, which is also bonded to three chloride ions. A very weak intramolecular N-H·Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloroform solvent molecules. Although the Fe-Cl bond lengths for the two metal atoms are comparable to the mean Fe-Cl bond lengths as derived from the Cambridge Structural Database, the Fe-O bond lengths are notably shorter. The solvent chloroform molecule exhibits 'flip' disorder of the C-H moiety in a 0.544(3):0.456 (3) ratio. The only directional interaction noted is a weak C-H·Cl hydrogen bond.

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