Abstract
In the crystal structure of the title compound, [Zn(C44H32N8)(CH3OH)]·CHCl3·CH3OH, the ZnII cation is coordinated by four porphyrin N and one methanol O atom within a slightly distorted square-pyramidal environment and is shifted out of the porphyrin plane towards the direction of the methanol mol-ecule. The methyl group of the coordinating methanol mol-ecule is disordered over two sets of sites. The porphyrin backbone is nearly planar and the phenyl rings are almost perpendicular to the porphyrin plane. As is typical for picket-fence porphyrins, all four ortho substituents of the meso-phenyl groups (here the amino groups) are facing to the same side of the porphyrin mol-ecule. In the crystal structure, two neighbouring porphyrin complexes form centrosymmetric dimers that are connected via O-H⋯N hydrogen bonding. With the aid of additional N-H⋯N and C-H⋯N hydrogen bonding, these dimers are stacked into columns parallel to [010] that are finally arranged into layers parallel to (001). Between these layers channels are formed where chloro-form solvent mol-ecules are located that are connected to the porphyrin complexes by weak C-H⋯Cl hydrogen bonding. There are additional cavities in the structure where some small residual electron density is found, indicating the presence of disordered methanol mol-ecules, but a reasonable model could not be refined. Therefore the contribution of the electron density associated with the methanol solvent mol-ecule was removed with the SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9-18] in PLATON. Nevertheless, the given chemical formula and other crystal data take into account the methanol solvent mol-ecule.
Highlights
Single crystals could be obtained from a methanol/chloroform solution of the zinc(II) porphyrin complex, and were characterized by single-crystal X-ray diffraction
The asymmetric unit of the solvated title compound, [Zn(C44H32N8)(CH3OH)]ÁCHCl3ÁCH3OH, consists of one ZnII cation, one substituted porphyrin, one methanol, as well as one chloroform solvent molecule, all of them located in general positions (Fig. 2)
Atoms that are located in the basal plane, and the metal coordination is completed by the O atom of a methanol molecule in apical position leading to an overall squarepyramidal environment (Fig. 3)
Summary
Picket-fence porphyrins have been widely used as model compounds for the investigation of oxygen binding to hemoproteins (Collman et al, 1975, 1976; Tabushi et al, 1985; Schappacher et al, 1989). Afterwards, the first crystal structure of a picket-fence porphyrin was published (Collman et al, 1975). Several different substituted picket-fence porphyrins have been reported (Collman et al, 1983, 1998; Lee et al, 2010; Yu et al, 2015). No crystal structure of this compound has been reported. Single crystals could be obtained from a methanol/chloroform solution of the zinc(II) porphyrin complex, and were characterized by single-crystal X-ray diffraction
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