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Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4) N]zinc diethyl ether solvate
The crystal structure of the title compound, [Zn(C(48)H(24)N(8)S(4))(C(4)H(10)O)]·C(4)H(10)O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The Zn(II) cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218912/ https://www.ncbi.nlm.nih.gov/pubmed/30443391 http://dx.doi.org/10.1107/S2056989018014238 |
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author | Leben, Lisa Schaub, Eike Näther, Christian Herges, Rainer |
author_facet | Leben, Lisa Schaub, Eike Näther, Christian Herges, Rainer |
author_sort | Leben, Lisa |
collection | PubMed |
description | The crystal structure of the title compound, [Zn(C(48)H(24)N(8)S(4))(C(4)H(10)O)]·C(4)H(10)O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The Zn(II) cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether molecule in a slightly distorted square-pyramidal environment with the diethyl ether molecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether molecule. All four isothiocyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate molecules are located around a twofold rotation axis. The O atom of the solvent molecule is not positioned exactly on the twofold rotation axis, thus making the whole molecule equally disordered over two symmetry-related positions. |
format | Online Article Text |
id | pubmed-6218912 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62189122018-11-15 Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4) N]zinc diethyl ether solvate Leben, Lisa Schaub, Eike Näther, Christian Herges, Rainer Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound, [Zn(C(48)H(24)N(8)S(4))(C(4)H(10)O)]·C(4)H(10)O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The Zn(II) cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether molecule in a slightly distorted square-pyramidal environment with the diethyl ether molecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether molecule. All four isothiocyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate molecules are located around a twofold rotation axis. The O atom of the solvent molecule is not positioned exactly on the twofold rotation axis, thus making the whole molecule equally disordered over two symmetry-related positions. International Union of Crystallography 2018-10-19 /pmc/articles/PMC6218912/ /pubmed/30443391 http://dx.doi.org/10.1107/S2056989018014238 Text en © Leben et al. 2018 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 Leben, Lisa Schaub, Eike Näther, Christian Herges, Rainer Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4) N]zinc diethyl ether solvate |
title | Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4)
N]zinc diethyl ether solvate |
title_full | Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4)
N]zinc diethyl ether solvate |
title_fullStr | Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4)
N]zinc diethyl ether solvate |
title_full_unstemmed | Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4)
N]zinc diethyl ether solvate |
title_short | Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4)
N]zinc diethyl ether solvate |
title_sort | crystal structure of (diethyl ether-κo)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ(4)
n]zinc diethyl ether solvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218912/ https://www.ncbi.nlm.nih.gov/pubmed/30443391 http://dx.doi.org/10.1107/S2056989018014238 |
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