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

The title compound, [Ni(C(64)H(33)F(10)N(5)S(2))]·xCH(2)Cl(2), consists of discrete Ni(II) porphyrin complexes, in which the five-coordinate Ni(II) cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitro­gen atoms are located in the basal plane of the pyramid, whe...

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Autores principales: Gutzeit, Florian, Neumann, Tjorge, 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/PMC6775725/
https://www.ncbi.nlm.nih.gov/pubmed/31636994
http://dx.doi.org/10.1107/S2056989019012453
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author Gutzeit, Florian
Neumann, Tjorge
Näther, Christian
Herges, Rainer
author_facet Gutzeit, Florian
Neumann, Tjorge
Näther, Christian
Herges, Rainer
author_sort Gutzeit, Florian
collection PubMed
description The title compound, [Ni(C(64)H(33)F(10)N(5)S(2))]·xCH(2)Cl(2), consists of discrete Ni(II) porphyrin complexes, in which the five-coordinate Ni(II) cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitro­gen atoms are located in the basal plane of the pyramid, whereas the pyridine N atom is in the apical position. The porphyrin plane is strongly distorted and the Ni(II) cation is located above this plane by 0.241 (3) Å and shifted in the direction of the coordinating pyridine nitro­gen atom. The pyridine ring is not perpendicular to the N(4) plane of the porphyrin moiety, as observed for related compounds. In the crystal, the complexes are linked via weak C—H⋯F hydrogen bonds into zigzag chains propagating in the [001] direction. Within this arrangement cavities are formed, in which highly disordered di­chloro­methane solvate mol­ecules are located. No reasonable structural model could be found to describe this disorder and therefore the contribution of the solvent to the electron density was removed using the SQUEEZE option in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18].
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spelling pubmed-67757252019-10-21 Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2) Gutzeit, Florian Neumann, Tjorge Näther, Christian Herges, Rainer Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Ni(C(64)H(33)F(10)N(5)S(2))]·xCH(2)Cl(2), consists of discrete Ni(II) porphyrin complexes, in which the five-coordinate Ni(II) cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitro­gen atoms are located in the basal plane of the pyramid, whereas the pyridine N atom is in the apical position. The porphyrin plane is strongly distorted and the Ni(II) cation is located above this plane by 0.241 (3) Å and shifted in the direction of the coordinating pyridine nitro­gen atom. The pyridine ring is not perpendicular to the N(4) plane of the porphyrin moiety, as observed for related compounds. In the crystal, the complexes are linked via weak C—H⋯F hydrogen bonds into zigzag chains propagating in the [001] direction. Within this arrangement cavities are formed, in which highly disordered di­chloro­methane solvate mol­ecules are located. No reasonable structural model could be found to describe this disorder and therefore the contribution of the solvent to the electron density was removed using the SQUEEZE option in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. International Union of Crystallography 2019-09-27 /pmc/articles/PMC6775725/ /pubmed/31636994 http://dx.doi.org/10.1107/S2056989019012453 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
Neumann, Tjorge
Näther, Christian
Herges, Rainer
Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2)
title Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2)
title_full Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2)
title_fullStr Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2)
title_full_unstemmed Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2)
title_short Crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(II) di­chloro­methane x-solvate (x > 1/2)
title_sort crystal structure of (15,20-bis­(2,3,4,5,6-penta­fluoro­phen­yl)-5,10-{(4-methyl­pyridine-3,5-di­yl)bis­[(sulfanediyl­methyl­ene)[1,1′-biphen­yl]-4′,2-di­yl]}porphyrinato)nickel(ii) di­chloro­methane x-solvate (x > 1/2)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775725/
https://www.ncbi.nlm.nih.gov/pubmed/31636994
http://dx.doi.org/10.1107/S2056989019012453
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