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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...

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Autores principales: Nasri, Soumaya, Ezzayani, Khaireddine, Turowska-Tyrk, Ilona, Roisnel, Thierry, Nasri, Habib
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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