Cargando…

Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination

The crystal structure of the title compound, [Ni(C(63)H(31)F(10)N(5)S(2))]·xCH(2)Cl(2) (x > 1/2), consists of Ni–porphyrin complexes that are located in general positions and di­chloro­methane solvent mol­ecules that are disordered around centers of inversion. The Ni(II) ions are in a square-pyra...

Descripción completa

Detalles Bibliográficos
Autores principales: Gutzeit, Florian, Näther, Christian, Herges, Rainer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690462/
https://www.ncbi.nlm.nih.gov/pubmed/31417788
http://dx.doi.org/10.1107/S2056989019009836
_version_ 1783443191710613504
author Gutzeit, Florian
Näther, Christian
Herges, Rainer
author_facet Gutzeit, Florian
Näther, Christian
Herges, Rainer
author_sort Gutzeit, Florian
collection PubMed
description The crystal structure of the title compound, [Ni(C(63)H(31)F(10)N(5)S(2))]·xCH(2)Cl(2) (x > 1/2), consists of Ni–porphyrin complexes that are located in general positions and di­chloro­methane solvent mol­ecules that are disordered around centers of inversion. The Ni(II) ions are in a square-pyramidal (CN5) coordination, with four porphyrin N atoms in the equatorial and a pyridine N atom in the apical position and are shifted out of the porphyrine N(4) plane towards the coordinating pyridine N atom. The pyridine substituent is not exactly perpendicular to the N(4) plane with an angle of inter­section between the planes planes of 80.48 (6)°. The di­chloro­methane solvent mol­ecules are hydrogen bonded to one of the four porphyrine N atoms. Two complexes are linked into dimers by two symmetry-equivalent C—H⋯S hydrogen bonds. These dimers are closely packed, leading to cavities in which additional di­chloro­methane solvent mol­ecules are embedded. These solvent mol­ecules are disordered and because no reasonable split model was found, the data were corrected for disordered solvent using the PLATON SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18].
format Online
Article
Text
id pubmed-6690462
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-66904622019-08-15 Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination Gutzeit, Florian Näther, Christian Herges, Rainer Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound, [Ni(C(63)H(31)F(10)N(5)S(2))]·xCH(2)Cl(2) (x > 1/2), consists of Ni–porphyrin complexes that are located in general positions and di­chloro­methane solvent mol­ecules that are disordered around centers of inversion. The Ni(II) ions are in a square-pyramidal (CN5) coordination, with four porphyrin N atoms in the equatorial and a pyridine N atom in the apical position and are shifted out of the porphyrine N(4) plane towards the coordinating pyridine N atom. The pyridine substituent is not exactly perpendicular to the N(4) plane with an angle of inter­section between the planes planes of 80.48 (6)°. The di­chloro­methane solvent mol­ecules are hydrogen bonded to one of the four porphyrine N atoms. Two complexes are linked into dimers by two symmetry-equivalent C—H⋯S hydrogen bonds. These dimers are closely packed, leading to cavities in which additional di­chloro­methane solvent mol­ecules are embedded. These solvent mol­ecules are disordered and because no reasonable split model was found, the data were corrected for disordered solvent using the PLATON SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18]. International Union of Crystallography 2019-07-12 /pmc/articles/PMC6690462/ /pubmed/31417788 http://dx.doi.org/10.1107/S2056989019009836 Text en © Gutzeit et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Gutzeit, Florian
Näther, Christian
Herges, Rainer
Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination
title Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination
title_full Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination
title_fullStr Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination
title_full_unstemmed Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination
title_short Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(II) di­chloro­methane x-solvate (x > 1/2) showing a rare CN5 coordination
title_sort crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(pyridine-3,5-di­yl)bis­[(sulfane­diyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porph­yrin­ato)nickel(ii) di­chloro­methane x-solvate (x > 1/2) showing a rare cn5 coordination
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690462/
https://www.ncbi.nlm.nih.gov/pubmed/31417788
http://dx.doi.org/10.1107/S2056989019009836
work_keys_str_mv AT gutzeitflorian crystalstructureof1520bis23456pentafluorophenyl510pyridine35diylbissulfanediylmethylene11biphenyl42diylporphyrinatonickeliidichloromethanexsolvatex12showingararecn5coordination
AT natherchristian crystalstructureof1520bis23456pentafluorophenyl510pyridine35diylbissulfanediylmethylene11biphenyl42diylporphyrinatonickeliidichloromethanexsolvatex12showingararecn5coordination
AT hergesrainer crystalstructureof1520bis23456pentafluorophenyl510pyridine35diylbissulfanediylmethylene11biphenyl42diylporphyrinatonickeliidichloromethanexsolvatex12showingararecn5coordination