Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Swift, Hannah, Carrig, Molly W., Oshin, Kayode D., Vinokur, Anastasiya I., Desper, John A., Levy, Christopher J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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
_version_ 1783248438673014784
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
work_keys_str_mv AT swifthannah crystalstructureof1r2rnnbisquinolin2ylmethylcyclohexane12diaminechloridoironiiimoxidotrichloridoferrateiiichloroformmonosolvate
AT carrigmollyw crystalstructureof1r2rnnbisquinolin2ylmethylcyclohexane12diaminechloridoironiiimoxidotrichloridoferrateiiichloroformmonosolvate
AT oshinkayoded crystalstructureof1r2rnnbisquinolin2ylmethylcyclohexane12diaminechloridoironiiimoxidotrichloridoferrateiiichloroformmonosolvate
AT vinokuranastasiyai crystalstructureof1r2rnnbisquinolin2ylmethylcyclohexane12diaminechloridoironiiimoxidotrichloridoferrateiiichloroformmonosolvate
AT desperjohna crystalstructureof1r2rnnbisquinolin2ylmethylcyclohexane12diaminechloridoironiiimoxidotrichloridoferrateiiichloroformmonosolvate
AT levychristopherj crystalstructureof1r2rnnbisquinolin2ylmethylcyclohexane12diaminechloridoironiiimoxidotrichloridoferrateiiichloroformmonosolvate