Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Leben, Lisa, Schaub, Eike, Näther, Christian, Herges, Rainer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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
_version_ 1783368546293645312
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
work_keys_str_mv AT lebenlisa crystalstructureofdiethyletherko5101520tetrakis2isothiocyanatophenylporphyrinatok4nzincdiethylethersolvate
AT schaubeike crystalstructureofdiethyletherko5101520tetrakis2isothiocyanatophenylporphyrinatok4nzincdiethylethersolvate
AT natherchristian crystalstructureofdiethyletherko5101520tetrakis2isothiocyanatophenylporphyrinatok4nzincdiethylethersolvate
AT hergesrainer crystalstructureofdiethyletherko5101520tetrakis2isothiocyanatophenylporphyrinatok4nzincdiethylethersolvate