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Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate
The first Fe(III) atom in the solvated title compound, [Fe(2)Cl(4)O(C(26)H(28)N(4))]·CHCl(3), 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]cyclohexane-1,2-diamine ligand, and a bridgi...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499263/ https://www.ncbi.nlm.nih.gov/pubmed/28775855 http://dx.doi.org/10.1107/S2056989017007952 |
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author | Swift, Hannah Carrig, Molly W. Oshin, Kayode D. Vinokur, Anastasiya I. Desper, John A. Levy, Christopher J. |
author_facet | Swift, Hannah Carrig, Molly W. Oshin, Kayode D. Vinokur, Anastasiya I. Desper, John A. Levy, Christopher J. |
author_sort | Swift, Hannah |
collection | PubMed |
description | The first Fe(III) atom in the solvated title compound, [Fe(2)Cl(4)O(C(26)H(28)N(4))]·CHCl(3), 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]cyclohexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second Fe(III) 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. |
format | Online Article Text |
id | pubmed-5499263 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-54992632017-08-03 Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate Swift, Hannah Carrig, Molly W. Oshin, Kayode D. Vinokur, Anastasiya I. Desper, John A. Levy, Christopher J. Acta Crystallogr E Crystallogr Commun Research Communications The first Fe(III) atom in the solvated title compound, [Fe(2)Cl(4)O(C(26)H(28)N(4))]·CHCl(3), 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]cyclohexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second Fe(III) 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. International Union of Crystallography 2017-06-02 /pmc/articles/PMC5499263/ /pubmed/28775855 http://dx.doi.org/10.1107/S2056989017007952 Text en © Swift et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Swift, Hannah Carrig, Molly W. Oshin, Kayode D. Vinokur, Anastasiya I. Desper, John A. Levy, Christopher J. Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
title | Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
title_full | Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
title_fullStr | Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
title_full_unstemmed | Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
title_short | Crystal structure of ({(1R,2R)-N,N′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate |
title_sort | crystal structure of ({(1r,2r)-n,n′-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(iii))-μ-oxido-[trichloridoferrate(iii)] chloroform monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499263/ https://www.ncbi.nlm.nih.gov/pubmed/28775855 http://dx.doi.org/10.1107/S2056989017007952 |
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