Crystal structure of (methanol-?O)[5,10,15,20-tetra-kis-(2-amino-phen-yl)porphyrinato-?⁴N]zinc(II)-chloro-form-methanol (1/1/1).

ABSTRACT: In the crystal structure of the title compound, [Zn(C₄₄H₃₂N₈)(CH₃OH)]·CHCl₃·CH₃OH, the Zn^II 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.

SUBMITTER: Leben L 

PROVIDER: S-EPMC6127699 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature