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Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4) N}zinc
The title compound, [Zn(C(72)H(44)N(4)O(8))(C(4)H(10)N(2))] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordination geometry about the central Zn(II) atom. This cen...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992910/ https://www.ncbi.nlm.nih.gov/pubmed/27555935 http://dx.doi.org/10.1107/S2056989016009269 |
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author | Nasri, Soumaya Ezzayani, Khaireddine Turowska-Tyrk, Ilona Roisnel, Thierry Nasri, Habib |
author_facet | Nasri, Soumaya Ezzayani, Khaireddine Turowska-Tyrk, Ilona Roisnel, Thierry Nasri, Habib |
author_sort | Nasri, Soumaya |
collection | PubMed |
description | The title compound, [Zn(C(72)H(44)N(4)O(8))(C(4)H(10)N(2))] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordination geometry about the central Zn(II) atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitrogen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn—N(pyrrole) bond length is 2.078 (7) Å and the Zn— N(pipz) bond length is 2.1274 (19) Å. The zinc cation is displaced by 0.4365 (4) Å from the N(4)C(20) mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling deformations. In the crystal, the supramolecular structure is made by parallel pairs of layers along (100), with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å. A region of electron density was treated with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9–18] procedure in PLATON following unsuccessful attempts to model it as being part of disordered n-hexane solvent and water molecules. The given chemical formula and other crystal data do not take into account these solvent molecules. |
format | Online Article Text |
id | pubmed-4992910 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49929102016-08-23 Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4) N}zinc Nasri, Soumaya Ezzayani, Khaireddine Turowska-Tyrk, Ilona Roisnel, Thierry Nasri, Habib Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Zn(C(72)H(44)N(4)O(8))(C(4)H(10)N(2))] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordination geometry about the central Zn(II) atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitrogen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn—N(pyrrole) bond length is 2.078 (7) Å and the Zn— N(pipz) bond length is 2.1274 (19) Å. The zinc cation is displaced by 0.4365 (4) Å from the N(4)C(20) mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling deformations. In the crystal, the supramolecular structure is made by parallel pairs of layers along (100), with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å. A region of electron density was treated with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9–18] procedure in PLATON following unsuccessful attempts to model it as being part of disordered n-hexane solvent and water molecules. The given chemical formula and other crystal data do not take into account these solvent molecules. International Union of Crystallography 2016-06-14 /pmc/articles/PMC4992910/ /pubmed/27555935 http://dx.doi.org/10.1107/S2056989016009269 Text en © Nasri et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Nasri, Soumaya Ezzayani, Khaireddine Turowska-Tyrk, Ilona Roisnel, Thierry Nasri, Habib Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4) N}zinc |
title | Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc |
title_full | Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc |
title_fullStr | Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc |
title_full_unstemmed | Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc |
title_short | Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc |
title_sort | crystal structure of an unknown solvate of (piperazine-κn){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
n}zinc |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992910/ https://www.ncbi.nlm.nih.gov/pubmed/27555935 http://dx.doi.org/10.1107/S2056989016009269 |
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