Title of article :
Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yl­oxy)phen­yl]porphyrinato-κ4N}zinc
Author/Authors :
Nasri, Soumaya Laboratoire de Physico-chimie des Matériaux - Faculté des Sciences de Monastir, Tunisia , Ezzayani, Khaireddine Laboratoire de Physico-chimie des Matériaux - Faculté des Sciences de Monastir, Tunisia , Roisnelc , Thierry entre de Diffractométrie X - Institut des Sciences Chimiques de Rennes - UMR 6226, CNRS–Université de, France , Turowska-Tyrk, Ilona Faculty of Chemistry - Wroław University of Technology, Poland , Nasri, Habib Laboratoire de Physico-chimie des Matériaux - Faculté des Sciences de Monastir, Tunisia
Pages :
20
From page :
1
To page :
20
Abstract :
The title compound, [Zn(C72H44N4O8)(C4H10N2)] 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 ZnII 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 N4C20 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[Spek, A. L. (2015). Acta Cryst. C71, 9-18.]). 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.
Keywords :
UV–visible spectra , hydrogen bonds , piperazine , zinc porphyrin , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2016
Full Text URL :
Record number :
2618354
Link To Document :
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