Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yloxy)phen­yl]porphyrinato-κ4N}zinc

Acta Crystallographica Section E: Crystallographic Communications

Turowska-Tyrk, I.²  Roisnel, T.⁵  Nasri, S.⁵  Nasri, H.^1,10  Ezzayani, K.^1,10 

[1] de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex, France;des Sciences de Monastir, Avenue de l'environnement, 5019 Monastir, University of Monastir, Tunisia;Centre de DiffractoméFaculty of Chemistry, WrołLaboratoire de Physico-chimie des MatéUniversitéaw University of Technology, Wybrzeżaw, Poland;e Wyspiańriaux, Facultéskiego 27, 50-370 Wrołtrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–

关键词: CRYSTAL STRUCTURE;    ZINC PORPHYRIN;    PIPERAZINE;    HYDROGEN BONDS;    UV-VISIBLE SPECTRA;   

DOI  :  10.1107/S2056989016009269

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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). 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.

【 授权许可】

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