Crystal structure of 5,15-bis-(4-methyl-phen-yl)-10,20-bis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate.

ABSTRACT: The whole mol-ecule of the title porphyrin, C46H32N6O4·2C6H5NO2, which crystallized as a nitro-benzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097?(2)?Å. The aryl rings at the meso positions are inclined to this mean plane by 74.84?(6)° for the nitro-phenyl rings and 73.37?(7)° for the tolyl rings. In the crystal, the porphyrin mol-ecules are linked by C-H?O hydrogen bonds, forming chains along [100]. The solvent mol-ecules are also linked by C-H?O hydrogen bonds, forming chains along [100]. Inter-digitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent mol-ecules are located.

SUBMITTER: Baptayev B 

PROVIDER: S-EPMC5778485 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature