Abstract
The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether mol-ecule in a slightly distorted square-pyramidal environment with the diethyl ether mol-ecule 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 mol-ecule. All four iso-thio-cyanato 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 mol-ecules are located around a twofold rotation axis. The O atom of the solvent mol-ecule is not positioned exactly on the twofold rotation axis, thus making the whole mol-ecule equally disordered over two symmetry-related positions.
Highlights
Molecule in the apical position, leading to a distorted squarepyramidal coordination environment (Table 1, Fig. 3)
In the case where all four ortho-substituents of the meso-phenyl groups face the same side of the porphyrin plane, these porphyrins are denominated picket fence porphyrins
The complex porphyrin molecule and the coordinating diethyl ether molecule are located on a twofold rotation axis whereas the solvent diethyl ether molecule is in a general position and is disordered around a twofold rotation axis (Fig. 2)
Summary
Isothiocyanates serve as versatile starting materials for a variety of functional groups (Batey & Powell, 2000; Ding et al, 2011; Serra et al, 2014; Guo et al, 2010; Shin et al, 2000; Kosurkar et al, 2014; Alizadeh et al, 2016; Rao et al, 2015). In the case where all four ortho-substituents of the meso-phenyl groups face the same side of the porphyrin plane, these porphyrins are denominated picket fence porphyrins. These compounds are widely used as model compounds for hemoproteins (Collman et al, 1975; Tabushi et al, 1985; Schappacher et al, 1989). The title compound opens new avenues for the synthesis of functionalized picket fence porphyrins and is a promising starting material for the design of anion binding ligands. The ZnII cation is located 0.4052 (9) Aout of the mean porphyrin plane and is shifted towards the coordinating diethyl ether molecule (Fig. 4)
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